(3Z)-3-chloro-2-N,2-N-dimethyl-4-N-(1-methylpiperidin-3-yl)hexa-1,3,5-triene-2,4-diamine

C14H24ClN3 — CID 145119236

IUPAC(3Z)-3-chloro-2-N,2-N-dimethyl-4-N-(1-methylpiperidin-3-yl)hexa-1,3,5-triene-2,4-diamine
SMILESC=C/C(NC1CCCN(C)C1)=C(/Cl)C(=C)N(C)C
InChIInChI=1S/C14H24ClN3/c1-6-13(14(15)11(2)17(3)4)16-12-8-7-9-18(5)10-12/h6,12,16H,1-2,7-10H2,3-5H3/b14-13-
InChIKeyXPYHXUMBXQHWSL-YPKPFQOOSA-N
MW269.82 g/mol
LogP2.38
Rot. Bonds5

About (3Z)-3-chloro-2-N,2-N-dimethyl-4-N-(1-methylpiperidin-3-yl)hexa-1,3,5-triene-2,4-diamine

(3Z)-3-chloro-2-N,2-N-dimethyl-4-N-(1-methylpiperidin-3-yl)hexa-1,3,5-triene-2,4-diamine (PubChem CID 145119236) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is (3Z)-3-chloro-2-N,2-N-dimethyl-4-N-(1-methylpiperidin-3-yl)hexa-1,3,5-triene-2,4-diamine.

Molecular Properties

Compound Name(3Z)-3-chloro-2-N,2-N-dimethyl-4-N-(1-methylpiperidin-3-yl)hexa-1,3,5-triene-2,4-diamine
PubChem CID145119236
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name(3Z)-3-chloro-2-N,2-N-dimethyl-4-N-(1-methylpiperidin-3-yl)hexa-1,3,5-triene-2,4-diamine
SMILESC=C/C(NC1CCCN(C)C1)=C(/Cl)C(=C)N(C)C
InChIInChI=1S/C14H24ClN3/c1-6-13(14(15)11(2)17(3)4)16-12-8-7-9-18(5)10-12/h6,12,16H,1-2,7-10H2,3-5H3/b14-13-
InChIKeyXPYHXUMBXQHWSL-YPKPFQOOSA-N
XLogP2.38
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z)-3-chloro-2-N,2-N-dimethyl-4-N-(1-methylpiperidin-3-yl)hexa-1,3,5-triene-2,4-diamine with MolForge

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Related Compounds

1-[(1E,3E)-1-amino-1-chlorohexa-1,3,5-trien-3-yl]piperidin-4-amine
CID 88917014
1-[(3Z,5E)-3,5-dichlorohepta-1,3,5-trien-4-yl]piperazine
CID 89117776
1-Hexa-1,3,5-trien-3-yl-3-methylpiperazine
CID 123835356
N-methyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-3-amine
CID 134485786
5-chloro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine
CID 139373625
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-methylpiperazine
CID 141838514
1-methyl-N-[(3E)-penta-1,3-dien-2-yl]piperidin-4-amine
CID 142467215
ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine
CID 143501788
N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine
CID 143501789
N,N'-dimethyl-N'-[(3E)-3-piperidin-1-ylhexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 144654075
4-chloro-2-methyl-3-methylidene-N-piperidin-3-yl-1H-diazepin-5-amine
CID 145119183
1-[(3E)-hexa-1,3,5-trien-3-yl]-3-methylpiperazine
CID 145255849

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-chloro-2-N,2-N-dimethyl-4-N-(1-methylpiperidin-3-yl)hexa-1,3,5-triene-2,4-diamine?
The IUPAC name of (3Z)-3-chloro-2-N,2-N-dimethyl-4-N-(1-methylpiperidin-3-yl)hexa-1,3,5-triene-2,4-diamine (CID 145119236) is (3Z)-3-chloro-2-N,2-N-dimethyl-4-N-(1-methylpiperidin-3-yl)hexa-1,3,5-triene-2,4-diamine.
What is the SMILES notation for (3Z)-3-chloro-2-N,2-N-dimethyl-4-N-(1-methylpiperidin-3-yl)hexa-1,3,5-triene-2,4-diamine?
The canonical SMILES for (3Z)-3-chloro-2-N,2-N-dimethyl-4-N-(1-methylpiperidin-3-yl)hexa-1,3,5-triene-2,4-diamine is C=C/C(NC1CCCN(C)C1)=C(/Cl)C(=C)N(C)C.
What is the InChIKey of (3Z)-3-chloro-2-N,2-N-dimethyl-4-N-(1-methylpiperidin-3-yl)hexa-1,3,5-triene-2,4-diamine?
The InChIKey is XPYHXUMBXQHWSL-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-6-13(14(15)11(2)17(3)4)16-12-8-7-9-18(5)10-12/h6,12,16H,1-2,7-10H2,3-5H3/b14-13-.
What are the key properties of (3Z)-3-chloro-2-N,2-N-dimethyl-4-N-(1-methylpiperidin-3-yl)hexa-1,3,5-triene-2,4-diamine?
(3Z)-3-chloro-2-N,2-N-dimethyl-4-N-(1-methylpiperidin-3-yl)hexa-1,3,5-triene-2,4-diamine has a molecular weight of 269.82 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-chloro-2-N,2-N-dimethyl-4-N-(1-methylpiperidin-3-yl)hexa-1,3,5-triene-2,4-diamine is sourced from PubChem (CID 145119236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).