3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide

C16H25N3O — CID 62779762

IUPAC3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)N(CCO)C1CCCC1
InChIInChI=1S/C16H25N3O/c17-16(18)12-15(13-6-2-1-3-7-13)19(10-11-20)14-8-4-5-9-14/h1-3,6-7,14-15,20H,4-5,8-12H2,(H3,17,18)
InChIKeyPALJHXFPXCCPIC-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.29
Rot. Bonds7

About 3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide

3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide (PubChem CID 62779762) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide
PubChem CID62779762
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)N(CCO)C1CCCC1
InChIInChI=1S/C16H25N3O/c17-16(18)12-15(13-6-2-1-3-7-13)19(10-11-20)14-8-4-5-9-14/h1-3,6-7,14-15,20H,4-5,8-12H2,(H3,17,18)
InChIKeyPALJHXFPXCCPIC-UHFFFAOYSA-N
XLogP2.29
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide
CID 62780290
2-[(3-amino-1-phenylpropyl)-cyclopentylamino]ethanol
CID 55117769
3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide
CID 54994326
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanimidamide
CID 107480304
3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide
CID 62779255
3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide
CID 62778447
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-phenylpropanimidamide
CID 115560125
3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid
CID 63074052
3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide
CID 55117825
2-[cyclobutyl(2-hydroxyethyl)amino]propanimidamide
CID 102863096
3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide
CID 62779621
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62878440

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide?
The IUPAC name of 3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide (CID 62779762) is 3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide.
What is the SMILES notation for 3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide?
The canonical SMILES for 3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide is [H]/N=C(\N)CC(c1ccccc1)N(CCO)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide?
The InChIKey is PALJHXFPXCCPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-16(18)12-15(13-6-2-1-3-7-13)19(10-11-20)14-8-4-5-9-14/h1-3,6-7,14-15,20H,4-5,8-12H2,(H3,17,18).
What are the key properties of 3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide?
3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide has a molecular weight of 275.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide is sourced from PubChem (CID 62779762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).