2-ethyl-4-methyl-3-methylidenehexan-1-amine

C10H21N — CID 89185225

IUPAC2-ethyl-4-methyl-3-methylidenehexan-1-amine
SMILESC=C(C(C)CC)C(CC)CN
InChIInChI=1S/C10H21N/c1-5-8(3)9(4)10(6-2)7-11/h8,10H,4-7,11H2,1-3H3
InChIKeyVDNLAMCOSZSJFQ-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.57
Rot. Bonds5

About 2-ethyl-4-methyl-3-methylidenehexan-1-amine

2-ethyl-4-methyl-3-methylidenehexan-1-amine (PubChem CID 89185225) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2-ethyl-4-methyl-3-methylidenehexan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-methyl-3-methylidenehexan-1-amine
PubChem CID89185225
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2-ethyl-4-methyl-3-methylidenehexan-1-amine
SMILESC=C(C(C)CC)C(CC)CN
InChIInChI=1S/C10H21N/c1-5-8(3)9(4)10(6-2)7-11/h8,10H,4-7,11H2,1-3H3
InChIKeyVDNLAMCOSZSJFQ-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.57
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 2-ethyl-4-methyl-3-methylidenehexan-1-amine?
The IUPAC name of 2-ethyl-4-methyl-3-methylidenehexan-1-amine (CID 89185225) is 2-ethyl-4-methyl-3-methylidenehexan-1-amine.
What is the SMILES notation for 2-ethyl-4-methyl-3-methylidenehexan-1-amine?
The canonical SMILES for 2-ethyl-4-methyl-3-methylidenehexan-1-amine is C=C(C(C)CC)C(CC)CN.
What is the InChIKey of 2-ethyl-4-methyl-3-methylidenehexan-1-amine?
The InChIKey is VDNLAMCOSZSJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-8(3)9(4)10(6-2)7-11/h8,10H,4-7,11H2,1-3H3.
What are the key properties of 2-ethyl-4-methyl-3-methylidenehexan-1-amine?
2-ethyl-4-methyl-3-methylidenehexan-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-3-methylidenehexan-1-amine is sourced from PubChem (CID 89185225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).