N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine

C12H21N — CID 90872348

IUPACN,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
SMILESC=CC=CC(CCN(C)C)=C(C)C
InChIInChI=1S/C12H21N/c1-6-7-8-12(11(2)3)9-10-13(4)5/h6-8H,1,9-10H2,2-5H3
InChIKeyQXNLWIRRAASWGM-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.02
Rot. Bonds5

About N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine

N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine (PubChem CID 90872348) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
PubChem CID90872348
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
SMILESC=CC=CC(CCN(C)C)=C(C)C
InChIInChI=1S/C12H21N/c1-6-7-8-12(11(2)3)9-10-13(4)5/h6-8H,1,9-10H2,2-5H3
InChIKeyQXNLWIRRAASWGM-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.02
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,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine?
The IUPAC name of N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine (CID 90872348) is N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine.
What is the SMILES notation for N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine?
The canonical SMILES for N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine is C=CC=CC(CCN(C)C)=C(C)C.
What is the InChIKey of N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine?
The InChIKey is QXNLWIRRAASWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-6-7-8-12(11(2)3)9-10-13(4)5/h6-8H,1,9-10H2,2-5H3.
What are the key properties of N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine?
N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-propan-2-ylidenehepta-4,6-dien-1-amine is sourced from PubChem (CID 90872348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).