trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine

C7H16N2 — CID 99867045

IUPACtrans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine
SMILESCC1(C)[C@@H](N)CC[C@@H]1N
InChIInChI=1S/C7H16N2/c1-7(2)5(8)3-4-6(7)9/h5-6H,3-4,8-9H2,1-2H3/t5-,6-/m0/s1
InChIKeyLMWUVNSDFYGNLV-WDSKDSINSA-N
MW128.22 g/mol
LogP0.46
Rot. Bonds

About trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine

trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine (PubChem CID 99867045) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine
PubChem CID99867045
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Nametrans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine
SMILESCC1(C)[C@@H](N)CC[C@@H]1N
InChIInChI=1S/C7H16N2/c1-7(2)5(8)3-4-6(7)9/h5-6H,3-4,8-9H2,1-2H3/t5-,6-/m0/s1
InChIKeyLMWUVNSDFYGNLV-WDSKDSINSA-N
XLogP0.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,3S)-2,2,3-trimethylcyclohexan-1-amine
CID 96559139
(1R)-2,2-dimethylcyclobutan-1-amine
CID 99645727
2,2-dimethylcyclohexane-1,4-diamine
CID 20547249
trans-(1R,2S)-1-methylcyclobutane-1,2-diamine
CID 12699189
1-methylcyclopropane-1,2-diamine
CID 15182447
cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol
CID 97300410
1,2,2,6-tetramethylpiperidin-3-amine
CID 139994448
3,3-dimethylthiepan-4-amine
CID 142226260
2,2-dimethyloxolan-3-amine
CID 59657974
2,2,6,6-tetramethylbicyclo[3.1.0]hexan-3-amine
CID 59730599
4,4-dimethyloxolan-3-amine;hydrochloride
CID 67002020
cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 95970229

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine (CID 99867045) is trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine is CC1(C)[C@@H](N)CC[C@@H]1N.
What is the InChIKey of trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine?
The InChIKey is LMWUVNSDFYGNLV-WDSKDSINSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(2)5(8)3-4-6(7)9/h5-6H,3-4,8-9H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine?
trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine is sourced from PubChem (CID 99867045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).