2-[(3-aminocyclohexyl)amino]-3-methoxypropan-1-ol

C10H22N2O2 — CID 106186892

IUPAC2-[(3-aminocyclohexyl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NC1CCCC(N)C1
InChIInChI=1S/C10H22N2O2/c1-14-7-10(6-13)12-9-4-2-3-8(11)5-9/h8-10,12-13H,2-7,11H2,1H3
InChIKeyLQMSPXMLPKPJNB-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.15
Rot. Bonds5

About 2-[(3-aminocyclohexyl)amino]-3-methoxypropan-1-ol

2-[(3-aminocyclohexyl)amino]-3-methoxypropan-1-ol (PubChem CID 106186892) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[(3-aminocyclohexyl)amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(3-aminocyclohexyl)amino]-3-methoxypropan-1-ol
PubChem CID106186892
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-[(3-aminocyclohexyl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NC1CCCC(N)C1
InChIInChI=1S/C10H22N2O2/c1-14-7-10(6-13)12-9-4-2-3-8(11)5-9/h8-10,12-13H,2-7,11H2,1H3
InChIKeyLQMSPXMLPKPJNB-UHFFFAOYSA-N
XLogP-0.15
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclohexyl)amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(3-aminocyclohexyl)amino]-3-methoxypropan-1-ol (CID 106186892) is 2-[(3-aminocyclohexyl)amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(3-aminocyclohexyl)amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(3-aminocyclohexyl)amino]-3-methoxypropan-1-ol is COCC(CO)NC1CCCC(N)C1.
What is the InChIKey of 2-[(3-aminocyclohexyl)amino]-3-methoxypropan-1-ol?
The InChIKey is LQMSPXMLPKPJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-14-7-10(6-13)12-9-4-2-3-8(11)5-9/h8-10,12-13H,2-7,11H2,1H3.
What are the key properties of 2-[(3-aminocyclohexyl)amino]-3-methoxypropan-1-ol?
2-[(3-aminocyclohexyl)amino]-3-methoxypropan-1-ol has a molecular weight of 202.30 g/mol, XLogP of -0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclohexyl)amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106186892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).