(1Z,3Z)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-ethenyl-N'-methyl-N'-[2-(methylamino)ethyl]-1-(methylideneamino)-N-propan-2-ylhexa-1,3-diene-1,6-diamine

C25H41N5 — CID 134525423

IUPAC(1Z,3Z)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-ethenyl-N'-methyl-N'-[2-(methylamino)ethyl]-1-(methylideneamino)-N-propan-2-ylhexa-1,3-diene-1,6-diamine
SMILESC=CC(/C(=C\CCN(C)CCNC)CC1=C(C)C=C(C)NC1=C)=C(/N=C)NC(C)C
InChIInChI=1S/C25H41N5/c1-10-23(25(27-8)28-18(2)3)22(12-11-14-30(9)15-13-26-7)17-24-19(4)16-20(5)29-21(24)6/h10,12,16,18,26,28-29H,1,6,8,11,13-15,17H2,2-5,7,9H3/b22-12-,25-23+
InChIKeyYVCKZWITTMXULP-UVWUGLSHSA-N
MW411.64 g/mol
LogP4.28
Rot. Bonds13

About (1Z,3Z)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-ethenyl-N'-methyl-N'-[2-(methylamino)ethyl]-1-(methylideneamino)-N-propan-2-ylhexa-1,3-diene-1,6-diamine

(1Z,3Z)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-ethenyl-N'-methyl-N'-[2-(methylamino)ethyl]-1-(methylideneamino)-N-propan-2-ylhexa-1,3-diene-1,6-diamine (PubChem CID 134525423) has the molecular formula C25H41N5 and a molecular weight of 411.64 g/mol. Its IUPAC name is (1Z,3Z)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-ethenyl-N'-methyl-N'-[2-(methylamino)ethyl]-1-(methylideneamino)-N-propan-2-ylhexa-1,3-diene-1,6-diamine.

Molecular Properties

Compound Name(1Z,3Z)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-ethenyl-N'-methyl-N'-[2-(methylamino)ethyl]-1-(methylideneamino)-N-propan-2-ylhexa-1,3-diene-1,6-diamine
PubChem CID134525423
Molecular FormulaC25H41N5
Molecular Weight411.64 g/mol
Exact Mass411.34
IUPAC Name(1Z,3Z)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-ethenyl-N'-methyl-N'-[2-(methylamino)ethyl]-1-(methylideneamino)-N-propan-2-ylhexa-1,3-diene-1,6-diamine
SMILESC=CC(/C(=C\CCN(C)CCNC)CC1=C(C)C=C(C)NC1=C)=C(/N=C)NC(C)C
InChIInChI=1S/C25H41N5/c1-10-23(25(27-8)28-18(2)3)22(12-11-14-30(9)15-13-26-7)17-24-19(4)16-20(5)29-21(24)6/h10,12,16,18,26,28-29H,1,6,8,11,13-15,17H2,2-5,7,9H3/b22-12-,25-23+
InChIKeyYVCKZWITTMXULP-UVWUGLSHSA-N
XLogP4.28
TPSA51.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.64
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-ethenyl-N'-methyl-N'-[2-(methylamino)ethyl]-1-(methylideneamino)-N-propan-2-ylhexa-1,3-diene-1,6-diamine?
The IUPAC name of (1Z,3Z)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-ethenyl-N'-methyl-N'-[2-(methylamino)ethyl]-1-(methylideneamino)-N-propan-2-ylhexa-1,3-diene-1,6-diamine (CID 134525423) is (1Z,3Z)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-ethenyl-N'-methyl-N'-[2-(methylamino)ethyl]-1-(methylideneamino)-N-propan-2-ylhexa-1,3-diene-1,6-diamine.
What is the SMILES notation for (1Z,3Z)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-ethenyl-N'-methyl-N'-[2-(methylamino)ethyl]-1-(methylideneamino)-N-propan-2-ylhexa-1,3-diene-1,6-diamine?
The canonical SMILES for (1Z,3Z)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-ethenyl-N'-methyl-N'-[2-(methylamino)ethyl]-1-(methylideneamino)-N-propan-2-ylhexa-1,3-diene-1,6-diamine is C=CC(/C(=C\CCN(C)CCNC)CC1=C(C)C=C(C)NC1=C)=C(/N=C)NC(C)C.
What is the InChIKey of (1Z,3Z)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-ethenyl-N'-methyl-N'-[2-(methylamino)ethyl]-1-(methylideneamino)-N-propan-2-ylhexa-1,3-diene-1,6-diamine?
The InChIKey is YVCKZWITTMXULP-UVWUGLSHSA-N. The full InChI is InChI=1S/C25H41N5/c1-10-23(25(27-8)28-18(2)3)22(12-11-14-30(9)15-13-26-7)17-24-19(4)16-20(5)29-21(24)6/h10,12,16,18,26,28-29H,1,6,8,11,13-15,17H2,2-5,7,9H3/b22-12-,25-23+.
What are the key properties of (1Z,3Z)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-ethenyl-N'-methyl-N'-[2-(methylamino)ethyl]-1-(methylideneamino)-N-propan-2-ylhexa-1,3-diene-1,6-diamine?
(1Z,3Z)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-ethenyl-N'-methyl-N'-[2-(methylamino)ethyl]-1-(methylideneamino)-N-propan-2-ylhexa-1,3-diene-1,6-diamine has a molecular weight of 411.64 g/mol, XLogP of 4.28, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-ethenyl-N'-methyl-N'-[2-(methylamino)ethyl]-1-(methylideneamino)-N-propan-2-ylhexa-1,3-diene-1,6-diamine is sourced from PubChem (CID 134525423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).