2-[[(1S,3R)-3-aminocyclopentyl]methylamino]ethanol

C8H18N2O — CID 165448051

IUPAC2-[[(1S,3R)-3-aminocyclopentyl]methylamino]ethanol
SMILESN[C@@H]1CC[C@H](CNCCO)C1
InChIInChI=1S/C8H18N2O/c9-8-2-1-7(5-8)6-10-3-4-11/h7-8,10-11H,1-6,9H2/t7-,8+/m0/s1
InChIKeyRNTCZSSATITOTD-JGVFFNPUSA-N
MW158.24 g/mol
LogP-0.30
Rot. Bonds4

About 2-[[(1S,3R)-3-aminocyclopentyl]methylamino]ethanol

2-[[(1S,3R)-3-aminocyclopentyl]methylamino]ethanol (PubChem CID 165448051) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-[[(1S,3R)-3-aminocyclopentyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[(1S,3R)-3-aminocyclopentyl]methylamino]ethanol
PubChem CID165448051
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-[[(1S,3R)-3-aminocyclopentyl]methylamino]ethanol
SMILESN[C@@H]1CC[C@H](CNCCO)C1
InChIInChI=1S/C8H18N2O/c9-8-2-1-7(5-8)6-10-3-4-11/h7-8,10-11H,1-6,9H2/t7-,8+/m0/s1
InChIKeyRNTCZSSATITOTD-JGVFFNPUSA-N
XLogP-0.30
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,3S)-3-aminocyclopentyl]ethanol
CID 129385414
(3-aminocyclopentyl)methanol
CID 14016457
3-[(2-hydroxyethylamino)methyl]cyclobutan-1-ol
CID 66004874
2-(cycloundecylmethylamino)ethanol
CID 123930521
N-[(3-aminocyclopentyl)methyl]-2-cyclopropylacetamide
CID 83619287
3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine
CID 102913546
3-[(2,3,3-trimethylbutylamino)methyl]cyclopentan-1-amine
CID 83144240
methyl 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]acetate
CID 165443865
6-[(3-methylcyclopentyl)methylamino]hexan-1-ol
CID 107703705
N'-(cyclopropylmethyl)ethane-1,2-diamine
CID 21062197
3-[(4-methylcyclohexyl)methylamino]propan-1-ol
CID 63243568
2-[(3-aminocyclohexyl)amino]ethanol
CID 79459217

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,3R)-3-aminocyclopentyl]methylamino]ethanol?
The IUPAC name of 2-[[(1S,3R)-3-aminocyclopentyl]methylamino]ethanol (CID 165448051) is 2-[[(1S,3R)-3-aminocyclopentyl]methylamino]ethanol.
What is the SMILES notation for 2-[[(1S,3R)-3-aminocyclopentyl]methylamino]ethanol?
The canonical SMILES for 2-[[(1S,3R)-3-aminocyclopentyl]methylamino]ethanol is N[C@@H]1CC[C@H](CNCCO)C1.
What is the InChIKey of 2-[[(1S,3R)-3-aminocyclopentyl]methylamino]ethanol?
The InChIKey is RNTCZSSATITOTD-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H18N2O/c9-8-2-1-7(5-8)6-10-3-4-11/h7-8,10-11H,1-6,9H2/t7-,8+/m0/s1.
What are the key properties of 2-[[(1S,3R)-3-aminocyclopentyl]methylamino]ethanol?
2-[[(1S,3R)-3-aminocyclopentyl]methylamino]ethanol has a molecular weight of 158.24 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,3R)-3-aminocyclopentyl]methylamino]ethanol is sourced from PubChem (CID 165448051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).