N,N-dimethyloct-1-en-3-amine

C10H21N — CID 123653053

IUPACN,N-dimethyloct-1-en-3-amine
SMILESC=CC(CCCCC)N(C)C
InChIInChI=1S/C10H21N/c1-5-7-8-9-10(6-2)11(3)4/h6,10H,2,5,7-9H2,1,3-4H3
InChIKeySBWAKZFJAKBAMS-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.68
Rot. Bonds6

About N,N-dimethyloct-1-en-3-amine

N,N-dimethyloct-1-en-3-amine (PubChem CID 123653053) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N,N-dimethyloct-1-en-3-amine.

Molecular Properties

Compound NameN,N-dimethyloct-1-en-3-amine
PubChem CID123653053
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN,N-dimethyloct-1-en-3-amine
SMILESC=CC(CCCCC)N(C)C
InChIInChI=1S/C10H21N/c1-5-7-8-9-10(6-2)11(3)4/h6,10H,2,5,7-9H2,1,3-4H3
InChIKeySBWAKZFJAKBAMS-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylhenicos-1-en-3-amine
CID 174322133
N,N-dimethylnonadec-1-en-3-amine
CID 174330581
N,N-bis(hept-1-en-3-yl)hept-1-en-3-amine
CID 87378366
6-[4-(dimethylamino)hex-5-enoxy]-N,N-dimethylhex-1-en-3-amine
CID 139697213
N'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine
CID 146420485
5-chloro-N,N-dimethylpent-1-en-3-amine;hydrochloride
CID 174791441
N-methyl-N-pent-1-en-3-ylpentan-1-amine
CID 123466657
3-ethenylnon-1-ene
CID 123641938
10-ethenylnonadecane
CID 57244946
ethane;9-ethenylheptadecane;octane
CID 168985515
3-methylbut-1-ene;2-methylheptane
CID 157223055
(3R)-3-ethyloct-1-ene
CID 50898077

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyloct-1-en-3-amine?
The IUPAC name of N,N-dimethyloct-1-en-3-amine (CID 123653053) is N,N-dimethyloct-1-en-3-amine.
What is the SMILES notation for N,N-dimethyloct-1-en-3-amine?
The canonical SMILES for N,N-dimethyloct-1-en-3-amine is C=CC(CCCCC)N(C)C.
What is the InChIKey of N,N-dimethyloct-1-en-3-amine?
The InChIKey is SBWAKZFJAKBAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-7-8-9-10(6-2)11(3)4/h6,10H,2,5,7-9H2,1,3-4H3.
What are the key properties of N,N-dimethyloct-1-en-3-amine?
N,N-dimethyloct-1-en-3-amine has a molecular weight of 155.28 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyloct-1-en-3-amine is sourced from PubChem (CID 123653053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).