5-ethyl-N,N-bis(prop-2-enyl)hept-1-en-4-amine

C15H27N — CID 102007823

IUPAC5-ethyl-N,N-bis(prop-2-enyl)hept-1-en-4-amine
SMILESC=CCC(C(CC)CC)N(CC=C)CC=C
InChIInChI=1S/C15H27N/c1-6-11-15(14(9-4)10-5)16(12-7-2)13-8-3/h6-8,14-15H,1-3,9-13H2,4-5H3
InChIKeyNPPBCKYPJHMPSK-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.04
Rot. Bonds10

About 5-ethyl-N,N-bis(prop-2-enyl)hept-1-en-4-amine

5-ethyl-N,N-bis(prop-2-enyl)hept-1-en-4-amine (PubChem CID 102007823) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 5-ethyl-N,N-bis(prop-2-enyl)hept-1-en-4-amine.

Molecular Properties

Compound Name5-ethyl-N,N-bis(prop-2-enyl)hept-1-en-4-amine
PubChem CID102007823
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name5-ethyl-N,N-bis(prop-2-enyl)hept-1-en-4-amine
SMILESC=CCC(C(CC)CC)N(CC=C)CC=C
InChIInChI=1S/C15H27N/c1-6-11-15(14(9-4)10-5)16(12-7-2)13-8-3/h6-8,14-15H,1-3,9-13H2,4-5H3
InChIKeyNPPBCKYPJHMPSK-UHFFFAOYSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-methylhept-6-en-1-amine
CID 17824958
(3R)-N-ethyl-N-[(E)-3-fluoroprop-2-enyl]-2-methylhexan-3-amine
CID 137466784
(2R,3R)-4-fluoro-N,N,3-trimethylhex-5-en-2-amine
CID 173954648
N,N-dimethyl-5-prop-2-enylnona-2,3-dien-1-amine
CID 85912140
N,N-diethyl-1-heptene-3-amine
CID 129658218
N-but-3-en-2-yl-N-methyl-1-prop-2-enylcyclopentan-1-amine
CID 134854641
N,N-diethyl-4-methylhept-6-en-1-amine
CID 170848093
N,N-diethyl-5-methyloct-7-en-1-amine
CID 170848094
N,N,3-triethyl-2-methylpent-4-en-1-amine
CID 170848096
N,N,5-triethylhept-6-en-1-amine
CID 170848097
N,N,5-triethyl-4-methylhept-6-en-1-amine
CID 170848099
N,N-diethyl-5-methylhept-6-en-1-amine
CID 170848101

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,N-bis(prop-2-enyl)hept-1-en-4-amine?
The IUPAC name of 5-ethyl-N,N-bis(prop-2-enyl)hept-1-en-4-amine (CID 102007823) is 5-ethyl-N,N-bis(prop-2-enyl)hept-1-en-4-amine.
What is the SMILES notation for 5-ethyl-N,N-bis(prop-2-enyl)hept-1-en-4-amine?
The canonical SMILES for 5-ethyl-N,N-bis(prop-2-enyl)hept-1-en-4-amine is C=CCC(C(CC)CC)N(CC=C)CC=C.
What is the InChIKey of 5-ethyl-N,N-bis(prop-2-enyl)hept-1-en-4-amine?
The InChIKey is NPPBCKYPJHMPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-6-11-15(14(9-4)10-5)16(12-7-2)13-8-3/h6-8,14-15H,1-3,9-13H2,4-5H3.
What are the key properties of 5-ethyl-N,N-bis(prop-2-enyl)hept-1-en-4-amine?
5-ethyl-N,N-bis(prop-2-enyl)hept-1-en-4-amine has a molecular weight of 221.39 g/mol, XLogP of 4.04, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,N-bis(prop-2-enyl)hept-1-en-4-amine is sourced from PubChem (CID 102007823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).