trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine

C9H19N — CID 58394445

IUPACtrans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
SMILESCC(C)N[C@H]1CC[C@H](C)C1
InChIInChI=1S/C9H19N/c1-7(2)10-9-5-4-8(3)6-9/h7-10H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKeySKPYOHNATUCPCB-IUCAKERBSA-N
MW141.26 g/mol
LogP2.17
Rot. Bonds2

About trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine

trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine (PubChem CID 58394445) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
PubChem CID58394445
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Nametrans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
SMILESCC(C)N[C@H]1CC[C@H](C)C1
InChIInChI=1S/C9H19N/c1-7(2)10-9-5-4-8(3)6-9/h7-10H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKeySKPYOHNATUCPCB-IUCAKERBSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394376
1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine
CID 158687236
N-[(1S)-1-cyclohexylethyl]-3-methylcyclopentan-1-amine
CID 81387418
3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine
CID 21034318
(2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol
CID 95368773
(2S)-2-[(3-methylcyclopentyl)amino]propan-1-ol
CID 103773858
4-methyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine
CID 137442853
4-(propan-2-ylamino)cyclohexane-1,2-diol
CID 140651250
cis-(1R,3S)-3-(propan-2-ylamino)cyclopentan-1-ol
CID 130990833
N-[1-(2,2-dimethylcyclopropyl)ethyl]-3-methylcyclopentan-1-amine
CID 130736733
cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine
CID 95368713
trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 58431127

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine?
The IUPAC name of trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine (CID 58394445) is trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine.
What is the SMILES notation for trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine?
The canonical SMILES for trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine is CC(C)N[C@H]1CC[C@H](C)C1.
What is the InChIKey of trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine?
The InChIKey is SKPYOHNATUCPCB-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19N/c1-7(2)10-9-5-4-8(3)6-9/h7-10H,4-6H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine?
trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine is sourced from PubChem (CID 58394445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).