1-(cyclopropylmethoxy)-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol

C15H29NO3 — CID 62551135

IUPAC1-(cyclopropylmethoxy)-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol
SMILESCC1CCC(CO)(NCC(O)COCC2CC2)CC1
InChIInChI=1S/C15H29NO3/c1-12-4-6-15(11-17,7-5-12)16-8-14(18)10-19-9-13-2-3-13/h12-14,16-18H,2-11H2,1H3
InChIKeyNUPGUHDXPOSPNT-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.30
Rot. Bonds8

About 1-(cyclopropylmethoxy)-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol

1-(cyclopropylmethoxy)-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol (PubChem CID 62551135) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol
PubChem CID62551135
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name1-(cyclopropylmethoxy)-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol
SMILESCC1CCC(CO)(NCC(O)COCC2CC2)CC1
InChIInChI=1S/C15H29NO3/c1-12-4-6-15(11-17,7-5-12)16-8-14(18)10-19-9-13-2-3-13/h12-14,16-18H,2-11H2,1H3
InChIKeyNUPGUHDXPOSPNT-UHFFFAOYSA-N
XLogP1.30
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylmethoxy)-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol (CID 62551135) is 1-(cyclopropylmethoxy)-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol is CC1CCC(CO)(NCC(O)COCC2CC2)CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol?
The InChIKey is NUPGUHDXPOSPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-12-4-6-15(11-17,7-5-12)16-8-14(18)10-19-9-13-2-3-13/h12-14,16-18H,2-11H2,1H3.
What are the key properties of 1-(cyclopropylmethoxy)-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol?
1-(cyclopropylmethoxy)-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol has a molecular weight of 271.40 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 62551135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).