N-(4-methylidenehexyl)hept-1-en-2-amine

C14H27N — CID 167138556

IUPACN-(4-methylidenehexyl)hept-1-en-2-amine
SMILESC=C(CC)CCCNC(=C)CCCCC
InChIInChI=1S/C14H27N/c1-5-7-8-11-14(4)15-12-9-10-13(3)6-2/h15H,3-12H2,1-2H3
InChIKeyVZAUORHEWKNXMB-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.42
Rot. Bonds10

About N-(4-methylidenehexyl)hept-1-en-2-amine

N-(4-methylidenehexyl)hept-1-en-2-amine (PubChem CID 167138556) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-(4-methylidenehexyl)hept-1-en-2-amine.

Molecular Properties

Compound NameN-(4-methylidenehexyl)hept-1-en-2-amine
PubChem CID167138556
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-(4-methylidenehexyl)hept-1-en-2-amine
SMILESC=C(CC)CCCNC(=C)CCCCC
InChIInChI=1S/C14H27N/c1-5-7-8-11-14(4)15-12-9-10-13(3)6-2/h15H,3-12H2,1-2H3
InChIKeyVZAUORHEWKNXMB-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
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-butylhept-1-en-2-amine
CID 170620308
N-hexyloct-1-en-2-amine
CID 169110016
3-methylidenedecane
CID 21453024
3,8-dimethylidenetetradecane
CID 173410299
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
5-methylidene-N-propylheptan-1-amine
CID 66039759
3,8,15,20-tetramethylidenedocosane
CID 176610318
6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene
CID 173451985

Frequently Asked Questions

What is the IUPAC name of N-(4-methylidenehexyl)hept-1-en-2-amine?
The IUPAC name of N-(4-methylidenehexyl)hept-1-en-2-amine (CID 167138556) is N-(4-methylidenehexyl)hept-1-en-2-amine.
What is the SMILES notation for N-(4-methylidenehexyl)hept-1-en-2-amine?
The canonical SMILES for N-(4-methylidenehexyl)hept-1-en-2-amine is C=C(CC)CCCNC(=C)CCCCC.
What is the InChIKey of N-(4-methylidenehexyl)hept-1-en-2-amine?
The InChIKey is VZAUORHEWKNXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-7-8-11-14(4)15-12-9-10-13(3)6-2/h15H,3-12H2,1-2H3.
What are the key properties of N-(4-methylidenehexyl)hept-1-en-2-amine?
N-(4-methylidenehexyl)hept-1-en-2-amine has a molecular weight of 209.38 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylidenehexyl)hept-1-en-2-amine is sourced from PubChem (CID 167138556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).