(3Z)-N,N-diethylhexa-3,5-dien-1-amine

C10H19N — CID 142430089

IUPAC(3Z)-N,N-diethylhexa-3,5-dien-1-amine
SMILESC=C/C=C\CCN(CC)CC
InChIInChI=1S/C10H19N/c1-4-7-8-9-10-11(5-2)6-3/h4,7-8H,1,5-6,9-10H2,2-3H3/b8-7-
InChIKeyVHIFTXVPTCMDEP-FPLPWBNLSA-N
MW153.27 g/mol
LogP2.46
Rot. Bonds6

About (3Z)-N,N-diethylhexa-3,5-dien-1-amine

(3Z)-N,N-diethylhexa-3,5-dien-1-amine (PubChem CID 142430089) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (3Z)-N,N-diethylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-N,N-diethylhexa-3,5-dien-1-amine
PubChem CID142430089
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(3Z)-N,N-diethylhexa-3,5-dien-1-amine
SMILESC=C/C=C\CCN(CC)CC
InChIInChI=1S/C10H19N/c1-4-7-8-9-10-11(5-2)6-3/h4,7-8H,1,5-6,9-10H2,2-3H3/b8-7-
InChIKeyVHIFTXVPTCMDEP-FPLPWBNLSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.46
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 (3Z)-N,N-diethylhexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-N,N-diethylhexa-3,5-dien-1-amine (CID 142430089) is (3Z)-N,N-diethylhexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-N,N-diethylhexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-N,N-diethylhexa-3,5-dien-1-amine is C=C/C=C\CCN(CC)CC.
What is the InChIKey of (3Z)-N,N-diethylhexa-3,5-dien-1-amine?
The InChIKey is VHIFTXVPTCMDEP-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H19N/c1-4-7-8-9-10-11(5-2)6-3/h4,7-8H,1,5-6,9-10H2,2-3H3/b8-7-.
What are the key properties of (3Z)-N,N-diethylhexa-3,5-dien-1-amine?
(3Z)-N,N-diethylhexa-3,5-dien-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,N-diethylhexa-3,5-dien-1-amine is sourced from PubChem (CID 142430089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).