4-methyl-5-methylideneheptan-1-amine

C9H19N — CID 87112485

IUPAC4-methyl-5-methylideneheptan-1-amine
SMILESC=C(CC)C(C)CCCN
InChIInChI=1S/C9H19N/c1-4-8(2)9(3)6-5-7-10/h9H,2,4-7,10H2,1,3H3
InChIKeyHXKOKRZTGYRNGH-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.33
Rot. Bonds5

About 4-methyl-5-methylideneheptan-1-amine

4-methyl-5-methylideneheptan-1-amine (PubChem CID 87112485) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 4-methyl-5-methylideneheptan-1-amine.

Molecular Properties

Compound Name4-methyl-5-methylideneheptan-1-amine
PubChem CID87112485
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name4-methyl-5-methylideneheptan-1-amine
SMILESC=C(CC)C(C)CCCN
InChIInChI=1S/C9H19N/c1-4-8(2)9(3)6-5-7-10/h9H,2,4-7,10H2,1,3H3
InChIKeyHXKOKRZTGYRNGH-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-methylideneheptan-1-amine?
The IUPAC name of 4-methyl-5-methylideneheptan-1-amine (CID 87112485) is 4-methyl-5-methylideneheptan-1-amine.
What is the SMILES notation for 4-methyl-5-methylideneheptan-1-amine?
The canonical SMILES for 4-methyl-5-methylideneheptan-1-amine is C=C(CC)C(C)CCCN.
What is the InChIKey of 4-methyl-5-methylideneheptan-1-amine?
The InChIKey is HXKOKRZTGYRNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-8(2)9(3)6-5-7-10/h9H,2,4-7,10H2,1,3H3.
What are the key properties of 4-methyl-5-methylideneheptan-1-amine?
4-methyl-5-methylideneheptan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-methylideneheptan-1-amine is sourced from PubChem (CID 87112485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).