N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine

C16H34N2 — CID 106662443

IUPACN'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine
SMILESCC1CC(C)(C)CC1NCCCCN(C)C(C)C
InChIInChI=1S/C16H34N2/c1-13(2)18(6)10-8-7-9-17-15-12-16(4,5)11-14(15)3/h13-15,17H,7-12H2,1-6H3
InChIKeyZROMTGJLNZDRQX-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds7

About N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine

N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine (PubChem CID 106662443) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine
PubChem CID106662443
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine
SMILESCC1CC(C)(C)CC1NCCCCN(C)C(C)C
InChIInChI=1S/C16H34N2/c1-13(2)18(6)10-8-7-9-17-15-12-16(4,5)11-14(15)3/h13-15,17H,7-12H2,1-6H3
InChIKeyZROMTGJLNZDRQX-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-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

2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine
CID 106661703
6-[(2,4,4-trimethylcyclopentyl)amino]hexan-1-ol
CID 106813241
2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 106661565
N'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine
CID 106662472
2,2-dimethyl-3-[4-[methyl(propan-2-yl)amino]butylamino]cyclobutan-1-ol
CID 112633951
N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide
CID 99838091
2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine
CID 106662803
N-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine
CID 106662856
N-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide
CID 99836162
2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine
CID 106662463
4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol
CID 106594550
2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 81300974

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine (CID 106662443) is N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine is CC1CC(C)(C)CC1NCCCCN(C)C(C)C.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine?
The InChIKey is ZROMTGJLNZDRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-13(2)18(6)10-8-7-9-17-15-12-16(4,5)11-14(15)3/h13-15,17H,7-12H2,1-6H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine?
N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine is sourced from PubChem (CID 106662443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).