[1-[[(1R,3S)-3-benzylcyclopentyl]amino]cyclopropyl]methanol

C16H23NO — CID 99825740

IUPAC[1-[[(1R,3S)-3-benzylcyclopentyl]amino]cyclopropyl]methanol
SMILESOCC1(N[C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1
InChIInChI=1S/C16H23NO/c18-12-16(8-9-16)17-15-7-6-14(11-15)10-13-4-2-1-3-5-13/h1-5,14-15,17-18H,6-12H2/t14-,15+/m0/s1
InChIKeyCKOIGUFMENFNNK-LSDHHAIUSA-N
MW245.37 g/mol
LogP2.51
Rot. Bonds5

About [1-[[(1R,3S)-3-benzylcyclopentyl]amino]cyclopropyl]methanol

[1-[[(1R,3S)-3-benzylcyclopentyl]amino]cyclopropyl]methanol (PubChem CID 99825740) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is [1-[[(1R,3S)-3-benzylcyclopentyl]amino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(1R,3S)-3-benzylcyclopentyl]amino]cyclopropyl]methanol
PubChem CID99825740
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name[1-[[(1R,3S)-3-benzylcyclopentyl]amino]cyclopropyl]methanol
SMILESOCC1(N[C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1
InChIInChI=1S/C16H23NO/c18-12-16(8-9-16)17-15-7-6-14(11-15)10-13-4-2-1-3-5-13/h1-5,14-15,17-18H,6-12H2/t14-,15+/m0/s1
InChIKeyCKOIGUFMENFNNK-LSDHHAIUSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-[[(1R,3R)-3-benzylcyclopentyl]amino]oxolan-3-yl]methanol
CID 100647084
1-[[(3-benzylcyclopentyl)amino]methyl]cyclopentan-1-ol
CID 154840849
N,3-dibenzylcyclopentan-1-amine
CID 123575298
(2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid
CID 122037860
cis-(1S,3S)-3-benzyl-N-(pyrimidin-5-ylmethyl)cyclopentan-1-amine
CID 99828152
5-benzyl-2-methylcyclohexan-1-ol
CID 174712973
1,3-dibenzylcyclooctane
CID 3045388
cyclopropylmethylbenzene;ethane;methane
CID 142248267
cis-(1S,3S)-3-benzyl-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]cyclopentan-1-amine
CID 129429773
3-benzyl-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide
CID 154665758
[3-[(9-phenylfluoren-9-yl)amino]cyclopentyl]methanol
CID 71346151
1-[(1R,3R)-3-benzylcyclopentyl]ethanone
CID 159558232

Frequently Asked Questions

What is the IUPAC name of [1-[[(1R,3S)-3-benzylcyclopentyl]amino]cyclopropyl]methanol?
The IUPAC name of [1-[[(1R,3S)-3-benzylcyclopentyl]amino]cyclopropyl]methanol (CID 99825740) is [1-[[(1R,3S)-3-benzylcyclopentyl]amino]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(1R,3S)-3-benzylcyclopentyl]amino]cyclopropyl]methanol?
The canonical SMILES for [1-[[(1R,3S)-3-benzylcyclopentyl]amino]cyclopropyl]methanol is OCC1(N[C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1.
What is the InChIKey of [1-[[(1R,3S)-3-benzylcyclopentyl]amino]cyclopropyl]methanol?
The InChIKey is CKOIGUFMENFNNK-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H23NO/c18-12-16(8-9-16)17-15-7-6-14(11-15)10-13-4-2-1-3-5-13/h1-5,14-15,17-18H,6-12H2/t14-,15+/m0/s1.
What are the key properties of [1-[[(1R,3S)-3-benzylcyclopentyl]amino]cyclopropyl]methanol?
[1-[[(1R,3S)-3-benzylcyclopentyl]amino]cyclopropyl]methanol has a molecular weight of 245.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(1R,3S)-3-benzylcyclopentyl]amino]cyclopropyl]methanol is sourced from PubChem (CID 99825740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).