(2S)-1-cyclohexyl-N-methoxypropan-2-amine

C10H21NO — CID 54506563

IUPAC(2S)-1-cyclohexyl-N-methoxypropan-2-amine
SMILESCON[C@@H](C)CC1CCCCC1
InChIInChI=1S/C10H21NO/c1-9(11-12-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyYGCVIPKKLCISEI-VIFPVBQESA-N
MW171.28 g/mol
LogP2.50
Rot. Bonds4

About (2S)-1-cyclohexyl-N-methoxypropan-2-amine

(2S)-1-cyclohexyl-N-methoxypropan-2-amine (PubChem CID 54506563) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S)-1-cyclohexyl-N-methoxypropan-2-amine.

Molecular Properties

Compound Name(2S)-1-cyclohexyl-N-methoxypropan-2-amine
PubChem CID54506563
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S)-1-cyclohexyl-N-methoxypropan-2-amine
SMILESCON[C@@H](C)CC1CCCCC1
InChIInChI=1S/C10H21NO/c1-9(11-12-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyYGCVIPKKLCISEI-VIFPVBQESA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-N-(1-methoxypropan-2-yl)propan-2-amine
CID 165494362
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
N-[(2R)-1-cyclohexylpropan-2-yl]-methylboronamidic acid
CID 70641753
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
CID 163832582
CID 163832582
4-(1-cyclopentylpropan-2-ylamino)cyclohexan-1-ol
CID 103904582
1-cyclopentyl-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 104584684
1-cyclobutyl-N-(1-cyclopentylethyl)propan-2-amine
CID 115720167
1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine
CID 115755933
(3-methyl-2-propan-2-ylbutyl)cycloheptane
CID 123585668
1-cyclohexyl-N-methoxymethanamine
CID 54238767

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohexyl-N-methoxypropan-2-amine?
The IUPAC name of (2S)-1-cyclohexyl-N-methoxypropan-2-amine (CID 54506563) is (2S)-1-cyclohexyl-N-methoxypropan-2-amine.
What is the SMILES notation for (2S)-1-cyclohexyl-N-methoxypropan-2-amine?
The canonical SMILES for (2S)-1-cyclohexyl-N-methoxypropan-2-amine is CON[C@@H](C)CC1CCCCC1.
What is the InChIKey of (2S)-1-cyclohexyl-N-methoxypropan-2-amine?
The InChIKey is YGCVIPKKLCISEI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO/c1-9(11-12-2)8-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-cyclohexyl-N-methoxypropan-2-amine?
(2S)-1-cyclohexyl-N-methoxypropan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexyl-N-methoxypropan-2-amine is sourced from PubChem (CID 54506563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).