1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine

C14H32N2 — CID 102913647

IUPAC1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine
SMILESCC(N)CCCCNCC(C(C)C)C(C)C
InChIInChI=1S/C14H32N2/c1-11(2)14(12(3)4)10-16-9-7-6-8-13(5)15/h11-14,16H,6-10,15H2,1-5H3
InChIKeyRKPWWGLVCYWHOX-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.02
Rot. Bonds9

About 1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine

1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine (PubChem CID 102913647) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine.

Molecular Properties

Compound Name1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine
PubChem CID102913647
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine
SMILESCC(N)CCCCNCC(C(C)C)C(C)C
InChIInChI=1S/C14H32N2/c1-11(2)14(12(3)4)10-16-9-7-6-8-13(5)15/h11-14,16H,6-10,15H2,1-5H3
InChIKeyRKPWWGLVCYWHOX-UHFFFAOYSA-N
XLogP3.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine
CID 102905484
1-N-propylnonane-1,8-diamine
CID 87246434
2-methyl-1-N-(5,5,5-trifluoropentyl)heptane-1,6-diamine
CID 115520367
1-N-(4-aminobutyl)pentane-1,4-diamine
CID 91335741
4-[(3-methyl-2-propan-2-ylbutyl)amino]butanenitrile
CID 102905397
1-N-(cyclopropylmethyl)hexane-1,5-diamine
CID 82853515
3,3-dimethyl-1-N-(7-methyloctyl)butane-1,2-diamine
CID 107815634
1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine
CID 82853346
docosane-2,21-diamine
CID 150079956
1-N-(2,2-dimethylbutyl)hexane-1,5-diamine
CID 103462285
2-N,5-N-bis(3-aminobutyl)-1-N-[4-[2,5-bis(3-aminobutylamino)pentylamino]butyl]pentane-1,2,5-triamine
CID 88877316
N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905569

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine?
The IUPAC name of 1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine (CID 102913647) is 1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine.
What is the SMILES notation for 1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine?
The canonical SMILES for 1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine is CC(N)CCCCNCC(C(C)C)C(C)C.
What is the InChIKey of 1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine?
The InChIKey is RKPWWGLVCYWHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-11(2)14(12(3)4)10-16-9-7-6-8-13(5)15/h11-14,16H,6-10,15H2,1-5H3.
What are the key properties of 1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine?
1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methyl-2-propan-2-ylbutyl)hexane-1,5-diamine is sourced from PubChem (CID 102913647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).