1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol

C16H26N2O — CID 114948545

IUPAC1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)C(CCN)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-18(13-16(19)10-5-6-11-16)15(9-12-17)14-7-3-2-4-8-14/h2-4,7-8,15,19H,5-6,9-13,17H2,1H3
InChIKeyPMUZNIUZTJQZPQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.31
Rot. Bonds6

About 1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol

1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114948545) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID114948545
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)C(CCN)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-18(13-16(19)10-5-6-11-16)15(9-12-17)14-7-3-2-4-8-14/h2-4,7-8,15,19H,5-6,9-13,17H2,1H3
InChIKeyPMUZNIUZTJQZPQ-UHFFFAOYSA-N
XLogP2.31
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol
CID 114948371
1-[[[2-amino-1-(4-methylphenyl)ethyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948239
1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol
CID 62779714
2-[(3-amino-1-phenylpropyl)-methylamino]acetamide
CID 62780025
N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
CID 63726962
N-methyl-N-(4-methylcyclohexyl)-1-phenylpropane-1,3-diamine
CID 62778531
N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine
CID 62779870
1-(2-phenylpropyl)cyclopentan-1-ol
CID 173409519
1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol
CID 114953543
1-[[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948208
N-methyl-N-pentan-2-yl-1-phenylpropane-1,3-diamine
CID 62779701
1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948033

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol (CID 114948545) is 1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)C(CCN)c1ccccc1.
What is the InChIKey of 1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is PMUZNIUZTJQZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(13-16(19)10-5-6-11-16)15(9-12-17)14-7-3-2-4-8-14/h2-4,7-8,15,19H,5-6,9-13,17H2,1H3.
What are the key properties of 1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol?
1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114948545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).