N-ethenyl-3-methylheptan-1-amine

C10H21N — CID 134374435

IUPACN-ethenyl-3-methylheptan-1-amine
SMILESC=CNCCC(C)CCCC
InChIInChI=1S/C10H21N/c1-4-6-7-10(3)8-9-11-5-2/h5,10-11H,2,4,6-9H2,1,3H3
InChIKeyNUHNRSDWKBWFPH-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.94
Rot. Bonds7

About N-ethenyl-3-methylheptan-1-amine

N-ethenyl-3-methylheptan-1-amine (PubChem CID 134374435) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-ethenyl-3-methylheptan-1-amine.

Molecular Properties

Compound NameN-ethenyl-3-methylheptan-1-amine
PubChem CID134374435
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-ethenyl-3-methylheptan-1-amine
SMILESC=CNCCC(C)CCCC
InChIInChI=1S/C10H21N/c1-4-6-7-10(3)8-9-11-5-2/h5,10-11H,2,4,6-9H2,1,3H3
InChIKeyNUHNRSDWKBWFPH-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-methylheptan-1-amine?
The IUPAC name of N-ethenyl-3-methylheptan-1-amine (CID 134374435) is N-ethenyl-3-methylheptan-1-amine.
What is the SMILES notation for N-ethenyl-3-methylheptan-1-amine?
The canonical SMILES for N-ethenyl-3-methylheptan-1-amine is C=CNCCC(C)CCCC.
What is the InChIKey of N-ethenyl-3-methylheptan-1-amine?
The InChIKey is NUHNRSDWKBWFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-4-6-7-10(3)8-9-11-5-2/h5,10-11H,2,4,6-9H2,1,3H3.
What are the key properties of N-ethenyl-3-methylheptan-1-amine?
N-ethenyl-3-methylheptan-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-methylheptan-1-amine is sourced from PubChem (CID 134374435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).