N-butylhept-1-en-2-amine

C11H23N — CID 170620308

IUPACN-butylhept-1-en-2-amine
SMILESC=C(CCCCC)NCCCC
InChIInChI=1S/C11H23N/c1-4-6-8-9-11(3)12-10-7-5-2/h12H,3-10H2,1-2H3
InChIKeyCDTHGKXJGQKJML-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.47
Rot. Bonds8

About N-butylhept-1-en-2-amine

N-butylhept-1-en-2-amine (PubChem CID 170620308) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-butylhept-1-en-2-amine.

Molecular Properties

Compound NameN-butylhept-1-en-2-amine
PubChem CID170620308
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-butylhept-1-en-2-amine
SMILESC=C(CCCCC)NCCCC
InChIInChI=1S/C11H23N/c1-4-6-8-9-11(3)12-10-7-5-2/h12H,3-10H2,1-2H3
InChIKeyCDTHGKXJGQKJML-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hexyloct-1-en-2-amine
CID 169110016
N-(4-methylidenehexyl)hept-1-en-2-amine
CID 167138556
N-pent-4-enylnonadec-1-en-2-amine
CID 129262643
N-hept-1-en-2-yl-6-methylheptan-1-amine
CID 155148528
N-but-1-en-2-ylpentan-1-amine;ethane
CID 177233508
N-(1-phosphanylethenyl)butan-1-amine
CID 170236223
(3S)-7-(dec-1-en-2-ylamino)-3-methylheptan-2-one
CID 163498407
ethane;6-methyl-1-N-tetracont-1-en-2-ylhept-6-ene-1,5-diamine
CID 162689305
3-N-heptadecyl-1-N,1-N-dipropylbut-3-ene-1,3-diamine
CID 167073154
N-methyloct-1-en-2-amine
CID 129196255
N-butylheptanethioamide
CID 88529052
N-(2-methylidenepent-4-enyl)hept-1-en-2-amine
CID 167240610

Frequently Asked Questions

What is the IUPAC name of N-butylhept-1-en-2-amine?
The IUPAC name of N-butylhept-1-en-2-amine (CID 170620308) is N-butylhept-1-en-2-amine.
What is the SMILES notation for N-butylhept-1-en-2-amine?
The canonical SMILES for N-butylhept-1-en-2-amine is C=C(CCCCC)NCCCC.
What is the InChIKey of N-butylhept-1-en-2-amine?
The InChIKey is CDTHGKXJGQKJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-6-8-9-11(3)12-10-7-5-2/h12H,3-10H2,1-2H3.
What are the key properties of N-butylhept-1-en-2-amine?
N-butylhept-1-en-2-amine has a molecular weight of 169.31 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylhept-1-en-2-amine is sourced from PubChem (CID 170620308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).