[(1S,3R)-1-amino-3-(4-hex-1-ynylphenyl)cyclopentyl]methanol

C18H25NO — CID 68941625

IUPAC[(1S,3R)-1-amino-3-(4-hex-1-ynylphenyl)cyclopentyl]methanol
SMILESCCCCC#Cc1ccc([C@@H]2CC[C@@](N)(CO)C2)cc1
InChIInChI=1S/C18H25NO/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-12-18(19,13-17)14-20/h7-10,17,20H,2-4,11-14,19H2,1H3/t17-,18+/m1/s1
InChIKeyAZCQMYKAAGUCGU-MSOLQXFVSA-N
MW271.40 g/mol
LogP3.19
Rot. Bonds4

About [(1S,3R)-1-amino-3-(4-hex-1-ynylphenyl)cyclopentyl]methanol

[(1S,3R)-1-amino-3-(4-hex-1-ynylphenyl)cyclopentyl]methanol (PubChem CID 68941625) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is [(1S,3R)-1-amino-3-(4-hex-1-ynylphenyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-1-amino-3-(4-hex-1-ynylphenyl)cyclopentyl]methanol
PubChem CID68941625
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name[(1S,3R)-1-amino-3-(4-hex-1-ynylphenyl)cyclopentyl]methanol
SMILESCCCCC#Cc1ccc([C@@H]2CC[C@@](N)(CO)C2)cc1
InChIInChI=1S/C18H25NO/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-12-18(19,13-17)14-20/h7-10,17,20H,2-4,11-14,19H2,1H3/t17-,18+/m1/s1
InChIKeyAZCQMYKAAGUCGU-MSOLQXFVSA-N
XLogP3.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(1S,3R)-1-amino-3-[4-(3-phenylprop-1-ynyl)phenyl]cyclopentyl]methanol
CID 68937868
[(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol
CID 68940187
[(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol
CID 25009740
[(1S,3R)-1-amino-3-phenylcyclopentyl]methanol
CID 67361364
[1-amino-3-(4-bromophenyl)cyclopentyl]methanol
CID 77272966
[1-amino-3-(4-octylphenyl)cyclohexyl]methanol
CID 68937152
6-[(1S,3R)-3-amino-3-(hydroxymethyl)cyclopentyl]-2-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 118877588
(4-hex-1-ynylphenyl)methanol
CID 101212882
4-hex-1-ynylaniline
CID 11845914
[(1R,3S)-1-amino-3-[(6S)-6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 90342997
[(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
CID 118877560
[(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol
CID 141211633

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-1-amino-3-(4-hex-1-ynylphenyl)cyclopentyl]methanol?
The IUPAC name of [(1S,3R)-1-amino-3-(4-hex-1-ynylphenyl)cyclopentyl]methanol (CID 68941625) is [(1S,3R)-1-amino-3-(4-hex-1-ynylphenyl)cyclopentyl]methanol.
What is the SMILES notation for [(1S,3R)-1-amino-3-(4-hex-1-ynylphenyl)cyclopentyl]methanol?
The canonical SMILES for [(1S,3R)-1-amino-3-(4-hex-1-ynylphenyl)cyclopentyl]methanol is CCCCC#Cc1ccc([C@@H]2CC[C@@](N)(CO)C2)cc1.
What is the InChIKey of [(1S,3R)-1-amino-3-(4-hex-1-ynylphenyl)cyclopentyl]methanol?
The InChIKey is AZCQMYKAAGUCGU-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-12-18(19,13-17)14-20/h7-10,17,20H,2-4,11-14,19H2,1H3/t17-,18+/m1/s1.
What are the key properties of [(1S,3R)-1-amino-3-(4-hex-1-ynylphenyl)cyclopentyl]methanol?
[(1S,3R)-1-amino-3-(4-hex-1-ynylphenyl)cyclopentyl]methanol has a molecular weight of 271.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-1-amino-3-(4-hex-1-ynylphenyl)cyclopentyl]methanol is sourced from PubChem (CID 68941625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).