N,N-bis(hept-1-en-3-yl)hept-1-en-3-amine

C21H39N — CID 87378366

IUPACN,N-bis(hept-1-en-3-yl)hept-1-en-3-amine
SMILESC=CC(CCCC)N(C(C=C)CCCC)C(C=C)CCCC
InChIInChI=1S/C21H39N/c1-7-13-16-19(10-4)22(20(11-5)17-14-8-2)21(12-6)18-15-9-3/h10-12,19-21H,4-9,13-18H2,1-3H3
InChIKeyDHVYIEFFQWCBLT-UHFFFAOYSA-N
MW305.55 g/mol
LogP6.52
Rot. Bonds15

About N,N-bis(hept-1-en-3-yl)hept-1-en-3-amine

N,N-bis(hept-1-en-3-yl)hept-1-en-3-amine (PubChem CID 87378366) has the molecular formula C21H39N and a molecular weight of 305.55 g/mol. Its IUPAC name is N,N-bis(hept-1-en-3-yl)hept-1-en-3-amine.

Molecular Properties

Compound NameN,N-bis(hept-1-en-3-yl)hept-1-en-3-amine
PubChem CID87378366
Molecular FormulaC21H39N
Molecular Weight305.55 g/mol
Exact Mass305.31
IUPAC NameN,N-bis(hept-1-en-3-yl)hept-1-en-3-amine
SMILESC=CC(CCCC)N(C(C=C)CCCC)C(C=C)CCCC
InChIInChI=1S/C21H39N/c1-7-13-16-19(10-4)22(20(11-5)17-14-8-2)21(12-6)18-15-9-3/h10-12,19-21H,4-9,13-18H2,1-3H3
InChIKeyDHVYIEFFQWCBLT-UHFFFAOYSA-N
XLogP6.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.55
LogP ≤ 56.52
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'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine
CID 146420485
N,N-dimethyloct-1-en-3-amine
CID 123653053
N,N-dimethylhenicos-1-en-3-amine
CID 174322133
N,N-dimethylnonadec-1-en-3-amine
CID 174330581
3-ethylhept-1-ene
CID 12923943
hept-1-ene-3-thiol
CID 56998098
N-methyl-N-pent-1-en-3-ylpentan-1-amine
CID 123466657
N-ethenylhept-1-en-3-amine
CID 142241347
acetylene;3-methylhept-1-ene;propane
CID 144520771
2-ethenylhexane-1-thiol
CID 89278235
tributyl-[(4-ethenylphenyl)methyl]phosphanium bromide
CID 22119369
ethenol;hexane
CID 22706833

Frequently Asked Questions

What is the IUPAC name of N,N-bis(hept-1-en-3-yl)hept-1-en-3-amine?
The IUPAC name of N,N-bis(hept-1-en-3-yl)hept-1-en-3-amine (CID 87378366) is N,N-bis(hept-1-en-3-yl)hept-1-en-3-amine.
What is the SMILES notation for N,N-bis(hept-1-en-3-yl)hept-1-en-3-amine?
The canonical SMILES for N,N-bis(hept-1-en-3-yl)hept-1-en-3-amine is C=CC(CCCC)N(C(C=C)CCCC)C(C=C)CCCC.
What is the InChIKey of N,N-bis(hept-1-en-3-yl)hept-1-en-3-amine?
The InChIKey is DHVYIEFFQWCBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N/c1-7-13-16-19(10-4)22(20(11-5)17-14-8-2)21(12-6)18-15-9-3/h10-12,19-21H,4-9,13-18H2,1-3H3.
What are the key properties of N,N-bis(hept-1-en-3-yl)hept-1-en-3-amine?
N,N-bis(hept-1-en-3-yl)hept-1-en-3-amine has a molecular weight of 305.55 g/mol, XLogP of 6.52, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(hept-1-en-3-yl)hept-1-en-3-amine is sourced from PubChem (CID 87378366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).