3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol

C16H32N2O — CID 149152663

IUPAC3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol
SMILESOCCCN(CCCNC1CCCC1)C1CCCC1
InChIInChI=1S/C16H32N2O/c19-14-6-13-18(16-9-3-4-10-16)12-5-11-17-15-7-1-2-8-15/h15-17,19H,1-14H2
InChIKeyDBSQASVUACRKEL-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.54
Rot. Bonds9

About 3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol

3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol (PubChem CID 149152663) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol
PubChem CID149152663
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol
SMILESOCCCN(CCCNC1CCCC1)C1CCCC1
InChIInChI=1S/C16H32N2O/c19-14-6-13-18(16-9-3-4-10-16)12-5-11-17-15-7-1-2-8-15/h15-17,19H,1-14H2
InChIKeyDBSQASVUACRKEL-UHFFFAOYSA-N
XLogP2.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[cyclohexyl(3-hydroxypropyl)amino]propylamino]propan-1-ol
CID 149151262
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62562032
N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78991158
3-[cyclobutyl-[3-(ethylamino)propyl]amino]propan-1-ol
CID 102869544
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129
3-[ethyl-[4-(propylamino)cyclohexyl]amino]propan-1-ol
CID 114763598
3-[cyclobutyl(2-fluoroethyl)amino]propan-1-ol
CID 102848338
3-[cyclobutyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]propan-1-ol
CID 103071461
3-[cyclopropyl(2-hydroxyethyl)amino]propan-1-ol
CID 61067850
2-[3-chloropropyl(cyclopentyl)amino]ethanol
CID 55208194
N'-cyclohexyl-N-cyclopropyl-N'-ethylpentane-1,5-diamine
CID 62425580

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol?
The IUPAC name of 3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol (CID 149152663) is 3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol is OCCCN(CCCNC1CCCC1)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol?
The InChIKey is DBSQASVUACRKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c19-14-6-13-18(16-9-3-4-10-16)12-5-11-17-15-7-1-2-8-15/h15-17,19H,1-14H2.
What are the key properties of 3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol?
3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol is sourced from PubChem (CID 149152663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).