N,2-dimethyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylcyclohexa-1,5-dien-1-amine

C19H29N — CID 134420584

IUPACN,2-dimethyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylcyclohexa-1,5-dien-1-amine
SMILESC=C/C(C)=C(\C=C/C)N(C)C1=C(C)CCC(C(C)C)=C1
InChIInChI=1S/C19H29N/c1-8-10-18(15(5)9-2)20(7)19-13-17(14(3)4)12-11-16(19)6/h8-10,13-14H,2,11-12H2,1,3-7H3/b10-8-,18-15+
InChIKeyHFTNZGQINXARTH-HAOTUNLWSA-N
MW271.45 g/mol
LogP5.60
Rot. Bonds5

About N,2-dimethyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylcyclohexa-1,5-dien-1-amine

N,2-dimethyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylcyclohexa-1,5-dien-1-amine (PubChem CID 134420584) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N,2-dimethyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylcyclohexa-1,5-dien-1-amine
PubChem CID134420584
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN,2-dimethyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylcyclohexa-1,5-dien-1-amine
SMILESC=C/C(C)=C(\C=C/C)N(C)C1=C(C)CCC(C(C)C)=C1
InChIInChI=1S/C19H29N/c1-8-10-18(15(5)9-2)20(7)19-13-17(14(3)4)12-11-16(19)6/h8-10,13-14H,2,11-12H2,1,3-7H3/b10-8-,18-15+
InChIKeyHFTNZGQINXARTH-HAOTUNLWSA-N
XLogP5.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of N,2-dimethyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylcyclohexa-1,5-dien-1-amine (CID 134420584) is N,2-dimethyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for N,2-dimethyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylcyclohexa-1,5-dien-1-amine is C=C/C(C)=C(\C=C/C)N(C)C1=C(C)CCC(C(C)C)=C1.
What is the InChIKey of N,2-dimethyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is HFTNZGQINXARTH-HAOTUNLWSA-N. The full InChI is InChI=1S/C19H29N/c1-8-10-18(15(5)9-2)20(7)19-13-17(14(3)4)12-11-16(19)6/h8-10,13-14H,2,11-12H2,1,3-7H3/b10-8-,18-15+.
What are the key properties of N,2-dimethyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylcyclohexa-1,5-dien-1-amine?
N,2-dimethyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 271.45 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 134420584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).