cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine

C10H21NO — CID 95368713

IUPACcis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine
SMILESCOC[C@H](C)N[C@H]1CC[C@@H](C)C1
InChIInChI=1S/C10H21NO/c1-8-4-5-10(6-8)11-9(2)7-12-3/h8-11H,4-7H2,1-3H3/t8-,9+,10+/m1/s1
InChIKeyKFLXHWGUGRJCAX-UTLUCORTSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds4

About cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine

cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine (PubChem CID 95368713) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine
PubChem CID95368713
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Namecis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine
SMILESCOC[C@H](C)N[C@H]1CC[C@@H](C)C1
InChIInChI=1S/C10H21NO/c1-8-4-5-10(6-8)11-9(2)7-12-3/h8-11H,4-7H2,1-3H3/t8-,9+,10+/m1/s1
InChIKeyKFLXHWGUGRJCAX-UTLUCORTSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methoxyethoxy)propan-2-yl]-3-methylcyclopentan-1-amine
CID 115891950
N-(1-methoxypropan-2-yl)-3-methylsulfanylcyclopentan-1-amine
CID 115664082
(2S)-2-[(3-methylcyclopentyl)amino]propan-1-ol
CID 103773858
(2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]propan-1-ol
CID 95368773
4-(1-methoxypropan-2-ylamino)cyclohexan-1-ol
CID 62535244
trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394445
(1R)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394376
N-(1-ethoxy-3-methylbutan-2-yl)-3-methylcyclopentan-1-amine
CID 103271735
3-N-(1-methoxypropan-2-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 115726744
trans-(1R,2R)-N-(1-methoxypropan-2-yl)-2-methylcyclopropan-1-amine
CID 130921581
N-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine
CID 64501539
cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine
CID 95368704

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine (CID 95368713) is cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine is COC[C@H](C)N[C@H]1CC[C@@H](C)C1.
What is the InChIKey of cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine?
The InChIKey is KFLXHWGUGRJCAX-UTLUCORTSA-N. The full InChI is InChI=1S/C10H21NO/c1-8-4-5-10(6-8)11-9(2)7-12-3/h8-11H,4-7H2,1-3H3/t8-,9+,10+/m1/s1.
What are the key properties of cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine?
cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 95368713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).