1,4,4-trimethylcyclopentane-1,3-diamine

C8H18N2 — CID 112757488

IUPAC1,4,4-trimethylcyclopentane-1,3-diamine
SMILESCC1(N)CC(N)C(C)(C)C1
InChIInChI=1S/C8H18N2/c1-7(2)5-8(3,10)4-6(7)9/h6H,4-5,9-10H2,1-3H3
InChIKeyTWEUKQNOQDWCMM-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.85
Rot. Bonds

About 1,4,4-trimethylcyclopentane-1,3-diamine

1,4,4-trimethylcyclopentane-1,3-diamine (PubChem CID 112757488) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1,4,4-trimethylcyclopentane-1,3-diamine.

Molecular Properties

Compound Name1,4,4-trimethylcyclopentane-1,3-diamine
PubChem CID112757488
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1,4,4-trimethylcyclopentane-1,3-diamine
SMILESCC1(N)CC(N)C(C)(C)C1
InChIInChI=1S/C8H18N2/c1-7(2)5-8(3,10)4-6(7)9/h6H,4-5,9-10H2,1-3H3
InChIKeyTWEUKQNOQDWCMM-UHFFFAOYSA-N
XLogP0.85
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylcyclopropane-1,2-diamine
CID 15182447
2,2,4,4,7,7-hexamethylazocan-5-amine
CID 130312303
2,5-dimethylspiro[2.2]pentan-2-amine
CID 70451349
5,5,7,7-tetramethylspiro[2.5]octan-2-amine
CID 103961210
(1R)-2,2-dimethylcyclobutan-1-amine
CID 99645727
4,4-difluoro-2,2-dimethylcyclohexan-1-amine
CID 138987456
cis-(1S,2S)-2-fluoro-3,3,5,5-tetramethylcyclohexan-1-amine
CID 125452257
(1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine
CID 124747898
2,2-dimethylcyclohexane-1,4-diamine
CID 20547249
2,2,5,5-tetramethyl-1-oxidopiperidin-1-ium-4-amine
CID 22466047
1-(2,2-dimethylcyclopropyl)-3-methylbicyclo[1.1.0]butane
CID 123359546
trans-(1R,2S)-1-methylcyclobutane-1,2-diamine
CID 12699189

Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethylcyclopentane-1,3-diamine?
The IUPAC name of 1,4,4-trimethylcyclopentane-1,3-diamine (CID 112757488) is 1,4,4-trimethylcyclopentane-1,3-diamine.
What is the SMILES notation for 1,4,4-trimethylcyclopentane-1,3-diamine?
The canonical SMILES for 1,4,4-trimethylcyclopentane-1,3-diamine is CC1(N)CC(N)C(C)(C)C1.
What is the InChIKey of 1,4,4-trimethylcyclopentane-1,3-diamine?
The InChIKey is TWEUKQNOQDWCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-7(2)5-8(3,10)4-6(7)9/h6H,4-5,9-10H2,1-3H3.
What are the key properties of 1,4,4-trimethylcyclopentane-1,3-diamine?
1,4,4-trimethylcyclopentane-1,3-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethylcyclopentane-1,3-diamine is sourced from PubChem (CID 112757488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).