4-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)non-1-en-3-amine

C18H36N2 — CID 139418268

IUPAC4-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)non-1-en-3-amine
SMILESC=C(C(N)C(CCCCC)CC(C)C)N1CCCC1C
InChIInChI=1S/C18H36N2/c1-6-7-8-11-17(13-14(2)3)18(19)16(5)20-12-9-10-15(20)4/h14-15,17-18H,5-13,19H2,1-4H3
InChIKeyVIQJBVMPCWEFAK-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.55
Rot. Bonds9

About 4-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)non-1-en-3-amine

4-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)non-1-en-3-amine (PubChem CID 139418268) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)non-1-en-3-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)non-1-en-3-amine
PubChem CID139418268
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name4-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)non-1-en-3-amine
SMILESC=C(C(N)C(CCCCC)CC(C)C)N1CCCC1C
InChIInChI=1S/C18H36N2/c1-6-7-8-11-17(13-14(2)3)18(19)16(5)20-12-9-10-15(20)4/h14-15,17-18H,5-13,19H2,1-4H3
InChIKeyVIQJBVMPCWEFAK-UHFFFAOYSA-N
XLogP4.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)non-1-en-3-amine?
The IUPAC name of 4-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)non-1-en-3-amine (CID 139418268) is 4-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)non-1-en-3-amine.
What is the SMILES notation for 4-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)non-1-en-3-amine?
The canonical SMILES for 4-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)non-1-en-3-amine is C=C(C(N)C(CCCCC)CC(C)C)N1CCCC1C.
What is the InChIKey of 4-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)non-1-en-3-amine?
The InChIKey is VIQJBVMPCWEFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-6-7-8-11-17(13-14(2)3)18(19)16(5)20-12-9-10-15(20)4/h14-15,17-18H,5-13,19H2,1-4H3.
What are the key properties of 4-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)non-1-en-3-amine?
4-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)non-1-en-3-amine has a molecular weight of 280.50 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)non-1-en-3-amine is sourced from PubChem (CID 139418268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).