2-N'-(4,4-dimethyl-3-methylidenepentyl)-2-N-methyl-3-methylidenehexane-2,2-diamine

C16H32N2 — CID 139454047

IUPAC2-N'-(4,4-dimethyl-3-methylidenepentyl)-2-N-methyl-3-methylidenehexane-2,2-diamine
SMILESC=C(CCNC(C)(NC)C(=C)CCC)C(C)(C)C
InChIInChI=1S/C16H32N2/c1-9-10-14(3)16(7,17-8)18-12-11-13(2)15(4,5)6/h17-18H,2-3,9-12H2,1,4-8H3
InChIKeyHGXBUJIIDVUUTG-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.86
Rot. Bonds8

About 2-N'-(4,4-dimethyl-3-methylidenepentyl)-2-N-methyl-3-methylidenehexane-2,2-diamine

2-N'-(4,4-dimethyl-3-methylidenepentyl)-2-N-methyl-3-methylidenehexane-2,2-diamine (PubChem CID 139454047) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-N'-(4,4-dimethyl-3-methylidenepentyl)-2-N-methyl-3-methylidenehexane-2,2-diamine.

Molecular Properties

Compound Name2-N'-(4,4-dimethyl-3-methylidenepentyl)-2-N-methyl-3-methylidenehexane-2,2-diamine
PubChem CID139454047
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-N'-(4,4-dimethyl-3-methylidenepentyl)-2-N-methyl-3-methylidenehexane-2,2-diamine
SMILESC=C(CCNC(C)(NC)C(=C)CCC)C(C)(C)C
InChIInChI=1S/C16H32N2/c1-9-10-14(3)16(7,17-8)18-12-11-13(2)15(4,5)6/h17-18H,2-3,9-12H2,1,4-8H3
InChIKeyHGXBUJIIDVUUTG-UHFFFAOYSA-N
XLogP3.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.86
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'-(4,4-dimethyl-3-methylidenepentyl)-2-N-methyl-3-methylidenehexane-2,2-diamine?
The IUPAC name of 2-N'-(4,4-dimethyl-3-methylidenepentyl)-2-N-methyl-3-methylidenehexane-2,2-diamine (CID 139454047) is 2-N'-(4,4-dimethyl-3-methylidenepentyl)-2-N-methyl-3-methylidenehexane-2,2-diamine.
What is the SMILES notation for 2-N'-(4,4-dimethyl-3-methylidenepentyl)-2-N-methyl-3-methylidenehexane-2,2-diamine?
The canonical SMILES for 2-N'-(4,4-dimethyl-3-methylidenepentyl)-2-N-methyl-3-methylidenehexane-2,2-diamine is C=C(CCNC(C)(NC)C(=C)CCC)C(C)(C)C.
What is the InChIKey of 2-N'-(4,4-dimethyl-3-methylidenepentyl)-2-N-methyl-3-methylidenehexane-2,2-diamine?
The InChIKey is HGXBUJIIDVUUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-9-10-14(3)16(7,17-8)18-12-11-13(2)15(4,5)6/h17-18H,2-3,9-12H2,1,4-8H3.
What are the key properties of 2-N'-(4,4-dimethyl-3-methylidenepentyl)-2-N-methyl-3-methylidenehexane-2,2-diamine?
2-N'-(4,4-dimethyl-3-methylidenepentyl)-2-N-methyl-3-methylidenehexane-2,2-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-(4,4-dimethyl-3-methylidenepentyl)-2-N-methyl-3-methylidenehexane-2,2-diamine is sourced from PubChem (CID 139454047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).