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

C9H20N2O — CID 105435304

IUPAC3-amino-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(C)NCC1(O)CCC(N)C1
InChIInChI=1S/C9H20N2O/c1-7(2)11-6-9(12)4-3-8(10)5-9/h7-8,11-12H,3-6,10H2,1-2H3
InChIKeyXJBSAAPZXFKIRB-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.23
Rot. Bonds3

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

3-amino-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol (PubChem CID 105435304) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-amino-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-amino-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol
PubChem CID105435304
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-amino-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(C)NCC1(O)CCC(N)C1
InChIInChI=1S/C9H20N2O/c1-7(2)11-6-9(12)4-3-8(10)5-9/h7-8,11-12H,3-6,10H2,1-2H3
InChIKeyXJBSAAPZXFKIRB-UHFFFAOYSA-N
XLogP0.23
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-amino-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol (CID 105435304) is 3-amino-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-amino-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-amino-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol is CC(C)NCC1(O)CCC(N)C1.
What is the InChIKey of 3-amino-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is XJBSAAPZXFKIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)11-6-9(12)4-3-8(10)5-9/h7-8,11-12H,3-6,10H2,1-2H3.
What are the key properties of 3-amino-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol?
3-amino-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 105435304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).