1-[(cyclopentylamino)-methylamino]ethanol

C8H18N2O — CID 121330481

IUPAC1-[(cyclopentylamino)-methylamino]ethanol
SMILESCC(O)N(C)NC1CCCC1
InChIInChI=1S/C8H18N2O/c1-7(11)10(2)9-8-5-3-4-6-8/h7-9,11H,3-6H2,1-2H3
InChIKeyHTZHMJNBVIXQFV-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.70
Rot. Bonds3

About 1-[(cyclopentylamino)-methylamino]ethanol

1-[(cyclopentylamino)-methylamino]ethanol (PubChem CID 121330481) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-[(cyclopentylamino)-methylamino]ethanol.

Molecular Properties

Compound Name1-[(cyclopentylamino)-methylamino]ethanol
PubChem CID121330481
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name1-[(cyclopentylamino)-methylamino]ethanol
SMILESCC(O)N(C)NC1CCCC1
InChIInChI=1S/C8H18N2O/c1-7(11)10(2)9-8-5-3-4-6-8/h7-9,11H,3-6H2,1-2H3
InChIKeyHTZHMJNBVIXQFV-UHFFFAOYSA-N
XLogP0.70
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[bis(1-hydroxyethyl)amino]ethanol;N-cyclohexylcyclohexanamine
CID 70436122
N-(cyclohexylamino)-N-methylhydroxylamine
CID 170577947
2-cyclopentyl-1,1-di(propan-2-yl)hydrazine
CID 69284863
1-(cyclopentylamino)ethanol
CID 18784157
1-(cycloheptylamino)propan-2-ol
CID 43392225
1-(cyclooctylamino)propan-2-ol
CID 20539535
3-(cyclopentylamino)-3-methylbutan-2-ol
CID 115908743
cyclopentyl(dimethylamino)methanol
CID 116909645
3-cyclopentyl-1-methyl-1-propan-2-ylthiourea
CID 116507156
1-cyclopentyl-2-methylpropan-1-ol;ethane;N-propan-2-ylcyclopentanamine
CID 145336371
N-propan-2-ylcycloheptanamine
CID 42562651
1-N-cyclopentyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 61044044

Frequently Asked Questions

What is the IUPAC name of 1-[(cyclopentylamino)-methylamino]ethanol?
The IUPAC name of 1-[(cyclopentylamino)-methylamino]ethanol (CID 121330481) is 1-[(cyclopentylamino)-methylamino]ethanol.
What is the SMILES notation for 1-[(cyclopentylamino)-methylamino]ethanol?
The canonical SMILES for 1-[(cyclopentylamino)-methylamino]ethanol is CC(O)N(C)NC1CCCC1.
What is the InChIKey of 1-[(cyclopentylamino)-methylamino]ethanol?
The InChIKey is HTZHMJNBVIXQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(11)10(2)9-8-5-3-4-6-8/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 1-[(cyclopentylamino)-methylamino]ethanol?
1-[(cyclopentylamino)-methylamino]ethanol has a molecular weight of 158.25 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclopentylamino)-methylamino]ethanol is sourced from PubChem (CID 121330481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).