2-N'-(5-cyclobutyl-2,5-dimethyl-4-methylidenehexan-3-yl)propane-2,2-diamine

C16H32N2 — CID 170192673

IUPAC2-N'-(5-cyclobutyl-2,5-dimethyl-4-methylidenehexan-3-yl)propane-2,2-diamine
SMILESC=C(C(NC(C)(C)N)C(C)C)C(C)(C)C1CCC1
InChIInChI=1S/C16H32N2/c1-11(2)14(18-16(6,7)17)12(3)15(4,5)13-9-8-10-13/h11,13-14,18H,3,8-10,17H2,1-2,4-7H3
InChIKeyPXBIDGWHXSYDPS-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.68
Rot. Bonds6

About 2-N'-(5-cyclobutyl-2,5-dimethyl-4-methylidenehexan-3-yl)propane-2,2-diamine

2-N'-(5-cyclobutyl-2,5-dimethyl-4-methylidenehexan-3-yl)propane-2,2-diamine (PubChem CID 170192673) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-N'-(5-cyclobutyl-2,5-dimethyl-4-methylidenehexan-3-yl)propane-2,2-diamine.

Molecular Properties

Compound Name2-N'-(5-cyclobutyl-2,5-dimethyl-4-methylidenehexan-3-yl)propane-2,2-diamine
PubChem CID170192673
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-N'-(5-cyclobutyl-2,5-dimethyl-4-methylidenehexan-3-yl)propane-2,2-diamine
SMILESC=C(C(NC(C)(C)N)C(C)C)C(C)(C)C1CCC1
InChIInChI=1S/C16H32N2/c1-11(2)14(18-16(6,7)17)12(3)15(4,5)13-9-8-10-13/h11,13-14,18H,3,8-10,17H2,1-2,4-7H3
InChIKeyPXBIDGWHXSYDPS-UHFFFAOYSA-N
XLogP3.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N'-(5-cyclobutyl-2,5-dimethyl-4-methylidenehexan-3-yl)propane-2,2-diamine?
The IUPAC name of 2-N'-(5-cyclobutyl-2,5-dimethyl-4-methylidenehexan-3-yl)propane-2,2-diamine (CID 170192673) is 2-N'-(5-cyclobutyl-2,5-dimethyl-4-methylidenehexan-3-yl)propane-2,2-diamine.
What is the SMILES notation for 2-N'-(5-cyclobutyl-2,5-dimethyl-4-methylidenehexan-3-yl)propane-2,2-diamine?
The canonical SMILES for 2-N'-(5-cyclobutyl-2,5-dimethyl-4-methylidenehexan-3-yl)propane-2,2-diamine is C=C(C(NC(C)(C)N)C(C)C)C(C)(C)C1CCC1.
What is the InChIKey of 2-N'-(5-cyclobutyl-2,5-dimethyl-4-methylidenehexan-3-yl)propane-2,2-diamine?
The InChIKey is PXBIDGWHXSYDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-11(2)14(18-16(6,7)17)12(3)15(4,5)13-9-8-10-13/h11,13-14,18H,3,8-10,17H2,1-2,4-7H3.
What are the key properties of 2-N'-(5-cyclobutyl-2,5-dimethyl-4-methylidenehexan-3-yl)propane-2,2-diamine?
2-N'-(5-cyclobutyl-2,5-dimethyl-4-methylidenehexan-3-yl)propane-2,2-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-(5-cyclobutyl-2,5-dimethyl-4-methylidenehexan-3-yl)propane-2,2-diamine is sourced from PubChem (CID 170192673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).