4-N-methyl-3-N-pent-4-en-2-yl-5-propan-2-ylnonane-3,4-diamine

C18H38N2 — CID 130181319

IUPAC4-N-methyl-3-N-pent-4-en-2-yl-5-propan-2-ylnonane-3,4-diamine
SMILESC=CCC(C)NC(CC)C(NC)C(CCCC)C(C)C
InChIInChI=1S/C18H38N2/c1-8-11-13-16(14(4)5)18(19-7)17(10-3)20-15(6)12-9-2/h9,14-20H,2,8,10-13H2,1,3-7H3
InChIKeyKBAFJWRWKIQAQY-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.37
Rot. Bonds12

About 4-N-methyl-3-N-pent-4-en-2-yl-5-propan-2-ylnonane-3,4-diamine

4-N-methyl-3-N-pent-4-en-2-yl-5-propan-2-ylnonane-3,4-diamine (PubChem CID 130181319) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 4-N-methyl-3-N-pent-4-en-2-yl-5-propan-2-ylnonane-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-3-N-pent-4-en-2-yl-5-propan-2-ylnonane-3,4-diamine
PubChem CID130181319
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name4-N-methyl-3-N-pent-4-en-2-yl-5-propan-2-ylnonane-3,4-diamine
SMILESC=CCC(C)NC(CC)C(NC)C(CCCC)C(C)C
InChIInChI=1S/C18H38N2/c1-8-11-13-16(14(4)5)18(19-7)17(10-3)20-15(6)12-9-2/h9,14-20H,2,8,10-13H2,1,3-7H3
InChIKeyKBAFJWRWKIQAQY-UHFFFAOYSA-N
XLogP4.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-N-methyl-3-N-pent-4-en-2-yl-5-propan-2-ylnonane-3,4-diamine?
The IUPAC name of 4-N-methyl-3-N-pent-4-en-2-yl-5-propan-2-ylnonane-3,4-diamine (CID 130181319) is 4-N-methyl-3-N-pent-4-en-2-yl-5-propan-2-ylnonane-3,4-diamine.
What is the SMILES notation for 4-N-methyl-3-N-pent-4-en-2-yl-5-propan-2-ylnonane-3,4-diamine?
The canonical SMILES for 4-N-methyl-3-N-pent-4-en-2-yl-5-propan-2-ylnonane-3,4-diamine is C=CCC(C)NC(CC)C(NC)C(CCCC)C(C)C.
What is the InChIKey of 4-N-methyl-3-N-pent-4-en-2-yl-5-propan-2-ylnonane-3,4-diamine?
The InChIKey is KBAFJWRWKIQAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-8-11-13-16(14(4)5)18(19-7)17(10-3)20-15(6)12-9-2/h9,14-20H,2,8,10-13H2,1,3-7H3.
What are the key properties of 4-N-methyl-3-N-pent-4-en-2-yl-5-propan-2-ylnonane-3,4-diamine?
4-N-methyl-3-N-pent-4-en-2-yl-5-propan-2-ylnonane-3,4-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.37, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-3-N-pent-4-en-2-yl-5-propan-2-ylnonane-3,4-diamine is sourced from PubChem (CID 130181319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).