1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentan-1-ol

C13H26N2O — CID 79539855

IUPAC1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(CC1CCCN1)NCC1(O)CCCC1
InChIInChI=1S/C13H26N2O/c1-11(9-12-5-4-8-14-12)15-10-13(16)6-2-3-7-13/h11-12,14-16H,2-10H2,1H3
InChIKeyRNGMGILWZPNMTJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.41
Rot. Bonds5

About 1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentan-1-ol

1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentan-1-ol (PubChem CID 79539855) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentan-1-ol
PubChem CID79539855
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentan-1-ol
SMILESCC(CC1CCCN1)NCC1(O)CCCC1
InChIInChI=1S/C13H26N2O/c1-11(9-12-5-4-8-14-12)15-10-13(16)6-2-3-7-13/h11-12,14-16H,2-10H2,1H3
InChIKeyRNGMGILWZPNMTJ-UHFFFAOYSA-N
XLogP1.41
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentan-1-ol (CID 79539855) is 1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentan-1-ol is CC(CC1CCCN1)NCC1(O)CCCC1.
What is the InChIKey of 1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is RNGMGILWZPNMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(9-12-5-4-8-14-12)15-10-13(16)6-2-3-7-13/h11-12,14-16H,2-10H2,1H3.
What are the key properties of 1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentan-1-ol?
1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 79539855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).