2,6-dimethyl-5-methylidene-4-(2-methylpropyl)-N-propan-2-ylheptan-1-amine

C17H35N — CID 129200403

IUPAC2,6-dimethyl-5-methylidene-4-(2-methylpropyl)-N-propan-2-ylheptan-1-amine
SMILESC=C(C(C)C)C(CC(C)C)CC(C)CNC(C)C
InChIInChI=1S/C17H35N/c1-12(2)9-17(16(8)13(3)4)10-15(7)11-18-14(5)6/h12-15,17-18H,8-11H2,1-7H3
InChIKeyJKNIVEXNZDTJPT-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.89
Rot. Bonds9

About 2,6-dimethyl-5-methylidene-4-(2-methylpropyl)-N-propan-2-ylheptan-1-amine

2,6-dimethyl-5-methylidene-4-(2-methylpropyl)-N-propan-2-ylheptan-1-amine (PubChem CID 129200403) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 2,6-dimethyl-5-methylidene-4-(2-methylpropyl)-N-propan-2-ylheptan-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-5-methylidene-4-(2-methylpropyl)-N-propan-2-ylheptan-1-amine
PubChem CID129200403
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name2,6-dimethyl-5-methylidene-4-(2-methylpropyl)-N-propan-2-ylheptan-1-amine
SMILESC=C(C(C)C)C(CC(C)C)CC(C)CNC(C)C
InChIInChI=1S/C17H35N/c1-12(2)9-17(16(8)13(3)4)10-15(7)11-18-14(5)6/h12-15,17-18H,8-11H2,1-7H3
InChIKeyJKNIVEXNZDTJPT-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.89
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 2,6-dimethyl-5-methylidene-4-(2-methylpropyl)-N-propan-2-ylheptan-1-amine?
The IUPAC name of 2,6-dimethyl-5-methylidene-4-(2-methylpropyl)-N-propan-2-ylheptan-1-amine (CID 129200403) is 2,6-dimethyl-5-methylidene-4-(2-methylpropyl)-N-propan-2-ylheptan-1-amine.
What is the SMILES notation for 2,6-dimethyl-5-methylidene-4-(2-methylpropyl)-N-propan-2-ylheptan-1-amine?
The canonical SMILES for 2,6-dimethyl-5-methylidene-4-(2-methylpropyl)-N-propan-2-ylheptan-1-amine is C=C(C(C)C)C(CC(C)C)CC(C)CNC(C)C.
What is the InChIKey of 2,6-dimethyl-5-methylidene-4-(2-methylpropyl)-N-propan-2-ylheptan-1-amine?
The InChIKey is JKNIVEXNZDTJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-12(2)9-17(16(8)13(3)4)10-15(7)11-18-14(5)6/h12-15,17-18H,8-11H2,1-7H3.
What are the key properties of 2,6-dimethyl-5-methylidene-4-(2-methylpropyl)-N-propan-2-ylheptan-1-amine?
2,6-dimethyl-5-methylidene-4-(2-methylpropyl)-N-propan-2-ylheptan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-methylidene-4-(2-methylpropyl)-N-propan-2-ylheptan-1-amine is sourced from PubChem (CID 129200403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).