3-[1-(3-aminocyclohexyl)pyrrolidin-2-yl]propan-1-ol

C13H26N2O — CID 79469053

IUPAC3-[1-(3-aminocyclohexyl)pyrrolidin-2-yl]propan-1-ol
SMILESNC1CCCC(N2CCCC2CCCO)C1
InChIInChI=1S/C13H26N2O/c14-11-4-1-5-13(10-11)15-8-2-6-12(15)7-3-9-16/h11-13,16H,1-10,14H2
InChIKeyXIIJMKYUVZVWRP-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds4

About 3-[1-(3-aminocyclohexyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(3-aminocyclohexyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 79469053) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[1-(3-aminocyclohexyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-aminocyclohexyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID79469053
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[1-(3-aminocyclohexyl)pyrrolidin-2-yl]propan-1-ol
SMILESNC1CCCC(N2CCCC2CCCO)C1
InChIInChI=1S/C13H26N2O/c14-11-4-1-5-13(10-11)15-8-2-6-12(15)7-3-9-16/h11-13,16H,1-10,14H2
InChIKeyXIIJMKYUVZVWRP-UHFFFAOYSA-N
XLogP1.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 75576493
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CID 11344137
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CID 79919663
3-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-1-ol
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2-(1-cyclopentylpyrrolidin-2-yl)ethanamine
CID 73440122
2-amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]piperidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-aminocyclohexyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(3-aminocyclohexyl)pyrrolidin-2-yl]propan-1-ol (CID 79469053) is 3-[1-(3-aminocyclohexyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-aminocyclohexyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3-aminocyclohexyl)pyrrolidin-2-yl]propan-1-ol is NC1CCCC(N2CCCC2CCCO)C1.
What is the InChIKey of 3-[1-(3-aminocyclohexyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is XIIJMKYUVZVWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c14-11-4-1-5-13(10-11)15-8-2-6-12(15)7-3-9-16/h11-13,16H,1-10,14H2.
What are the key properties of 3-[1-(3-aminocyclohexyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(3-aminocyclohexyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminocyclohexyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 79469053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).