N,N'-bis(3,3-dimethylbutan-2-yl)-2-methylpentane-1,5-diamine

C18H40N2 — CID 87166013

IUPACN,N'-bis(3,3-dimethylbutan-2-yl)-2-methylpentane-1,5-diamine
SMILESCC(CCCNC(C)C(C)(C)C)CNC(C)C(C)(C)C
InChIInChI=1S/C18H40N2/c1-14(13-20-16(3)18(7,8)9)11-10-12-19-15(2)17(4,5)6/h14-16,19-20H,10-13H2,1-9H3
InChIKeyHGLSFWZWRNSPNZ-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.45
Rot. Bonds8

About N,N'-bis(3,3-dimethylbutan-2-yl)-2-methylpentane-1,5-diamine

N,N'-bis(3,3-dimethylbutan-2-yl)-2-methylpentane-1,5-diamine (PubChem CID 87166013) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is N,N'-bis(3,3-dimethylbutan-2-yl)-2-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-bis(3,3-dimethylbutan-2-yl)-2-methylpentane-1,5-diamine
PubChem CID87166013
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC NameN,N'-bis(3,3-dimethylbutan-2-yl)-2-methylpentane-1,5-diamine
SMILESCC(CCCNC(C)C(C)(C)C)CNC(C)C(C)(C)C
InChIInChI=1S/C18H40N2/c1-14(13-20-16(3)18(7,8)9)11-10-12-19-15(2)17(4,5)6/h14-16,19-20H,10-13H2,1-9H3
InChIKeyHGLSFWZWRNSPNZ-UHFFFAOYSA-N
XLogP4.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.45
H-Bond Donors ≤ 52
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 N,N'-bis(3,3-dimethylbutan-2-yl)-2-methylpentane-1,5-diamine?
The IUPAC name of N,N'-bis(3,3-dimethylbutan-2-yl)-2-methylpentane-1,5-diamine (CID 87166013) is N,N'-bis(3,3-dimethylbutan-2-yl)-2-methylpentane-1,5-diamine.
What is the SMILES notation for N,N'-bis(3,3-dimethylbutan-2-yl)-2-methylpentane-1,5-diamine?
The canonical SMILES for N,N'-bis(3,3-dimethylbutan-2-yl)-2-methylpentane-1,5-diamine is CC(CCCNC(C)C(C)(C)C)CNC(C)C(C)(C)C.
What is the InChIKey of N,N'-bis(3,3-dimethylbutan-2-yl)-2-methylpentane-1,5-diamine?
The InChIKey is HGLSFWZWRNSPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2/c1-14(13-20-16(3)18(7,8)9)11-10-12-19-15(2)17(4,5)6/h14-16,19-20H,10-13H2,1-9H3.
What are the key properties of N,N'-bis(3,3-dimethylbutan-2-yl)-2-methylpentane-1,5-diamine?
N,N'-bis(3,3-dimethylbutan-2-yl)-2-methylpentane-1,5-diamine has a molecular weight of 284.53 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3,3-dimethylbutan-2-yl)-2-methylpentane-1,5-diamine is sourced from PubChem (CID 87166013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).