3-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol

C17H32N2O — CID 79135758

IUPAC3-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol
SMILESCC(C)C1CCC(CN)(C2(O)CCN(C3CC3)C2)CC1
InChIInChI=1S/C17H32N2O/c1-13(2)14-5-7-16(11-18,8-6-14)17(20)9-10-19(12-17)15-3-4-15/h13-15,20H,3-12,18H2,1-2H3
InChIKeyDKIOMUBNCBAOQD-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.38
Rot. Bonds4

About 3-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol

3-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol (PubChem CID 79135758) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol
PubChem CID79135758
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol
SMILESCC(C)C1CCC(CN)(C2(O)CCN(C3CC3)C2)CC1
InChIInChI=1S/C17H32N2O/c1-13(2)14-5-7-16(11-18,8-6-14)17(20)9-10-19(12-17)15-3-4-15/h13-15,20H,3-12,18H2,1-2H3
InChIKeyDKIOMUBNCBAOQD-UHFFFAOYSA-N
XLogP2.38
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol?
The IUPAC name of 3-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol (CID 79135758) is 3-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol.
What is the SMILES notation for 3-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol?
The canonical SMILES for 3-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol is CC(C)C1CCC(CN)(C2(O)CCN(C3CC3)C2)CC1.
What is the InChIKey of 3-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol?
The InChIKey is DKIOMUBNCBAOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13(2)14-5-7-16(11-18,8-6-14)17(20)9-10-19(12-17)15-3-4-15/h13-15,20H,3-12,18H2,1-2H3.
What are the key properties of 3-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol?
3-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol has a molecular weight of 280.46 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol is sourced from PubChem (CID 79135758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).