3-[(1-aminopropan-2-ylamino)methyl]cyclopentan-1-ol

C9H20N2O — CID 106120948

IUPAC3-[(1-aminopropan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(CN)NCC1CCC(O)C1
InChIInChI=1S/C9H20N2O/c1-7(5-10)11-6-8-2-3-9(12)4-8/h7-9,11-12H,2-6,10H2,1H3
InChIKeyBFHIQFQTTDYKLS-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.08
Rot. Bonds4

About 3-[(1-aminopropan-2-ylamino)methyl]cyclopentan-1-ol

3-[(1-aminopropan-2-ylamino)methyl]cyclopentan-1-ol (PubChem CID 106120948) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-[(1-aminopropan-2-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(1-aminopropan-2-ylamino)methyl]cyclopentan-1-ol
PubChem CID106120948
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-[(1-aminopropan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(CN)NCC1CCC(O)C1
InChIInChI=1S/C9H20N2O/c1-7(5-10)11-6-8-2-3-9(12)4-8/h7-9,11-12H,2-6,10H2,1H3
InChIKeyBFHIQFQTTDYKLS-UHFFFAOYSA-N
XLogP0.08
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-Cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992450
1-[1-(Cyclopentylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992592
1-[1-Cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993144
1-[1-(Cyclopentylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993286
3-[(6,6,6-Trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271422
3-[(1,1-Difluoropropan-2-ylamino)methyl]cyclopentan-1-ol
CID 106120786
3-[(2-Fluoroethylamino)methyl]cyclopentan-1-ol
CID 106129005
3-[(3-Fluoropropylamino)methyl]cyclopentan-1-ol
CID 106129076
[(1R,3R)-3-(propan-2-ylamino)cyclopentyl]methanol
CID 58671567
trans-(1S,3S)-3-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 58671596
3-[(Propan-2-ylamino)methyl]cyclopentan-1-ol
CID 58787020
[3-(Propan-2-ylamino)cyclopentyl]methanol
CID 72387800

Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminopropan-2-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(1-aminopropan-2-ylamino)methyl]cyclopentan-1-ol (CID 106120948) is 3-[(1-aminopropan-2-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(1-aminopropan-2-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(1-aminopropan-2-ylamino)methyl]cyclopentan-1-ol is CC(CN)NCC1CCC(O)C1.
What is the InChIKey of 3-[(1-aminopropan-2-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is BFHIQFQTTDYKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(5-10)11-6-8-2-3-9(12)4-8/h7-9,11-12H,2-6,10H2,1H3.
What are the key properties of 3-[(1-aminopropan-2-ylamino)methyl]cyclopentan-1-ol?
3-[(1-aminopropan-2-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminopropan-2-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 106120948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).