1-(aminomethyl)-3-methoxy-N-[(2-methyloxolan-2-yl)methyl]cyclohexan-1-amine

C14H28N2O2 — CID 106872670

IUPAC1-(aminomethyl)-3-methoxy-N-[(2-methyloxolan-2-yl)methyl]cyclohexan-1-amine
SMILESCOC1CCCC(CN)(NCC2(C)CCCO2)C1
InChIInChI=1S/C14H28N2O2/c1-13(6-4-8-18-13)11-16-14(10-15)7-3-5-12(9-14)17-2/h12,16H,3-11,15H2,1-2H3
InChIKeyCBEXNJFNPACKSX-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.43
Rot. Bonds5

About 1-(aminomethyl)-3-methoxy-N-[(2-methyloxolan-2-yl)methyl]cyclohexan-1-amine

1-(aminomethyl)-3-methoxy-N-[(2-methyloxolan-2-yl)methyl]cyclohexan-1-amine (PubChem CID 106872670) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methoxy-N-[(2-methyloxolan-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-methoxy-N-[(2-methyloxolan-2-yl)methyl]cyclohexan-1-amine
PubChem CID106872670
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-(aminomethyl)-3-methoxy-N-[(2-methyloxolan-2-yl)methyl]cyclohexan-1-amine
SMILESCOC1CCCC(CN)(NCC2(C)CCCO2)C1
InChIInChI=1S/C14H28N2O2/c1-13(6-4-8-18-13)11-16-14(10-15)7-3-5-12(9-14)17-2/h12,16H,3-11,15H2,1-2H3
InChIKeyCBEXNJFNPACKSX-UHFFFAOYSA-N
XLogP1.43
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(aminomethyl)-3-methoxy-N-[(2-methyloxolan-2-yl)methyl]cyclohexan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(3-methylcyclohexyl)oxyethyl]-1-(oxolan-2-yl)ethanamine
CID 55092734
1-[(Oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 61151298
4-(aminomethyl)-N-ethyl-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine
CID 64107818
4-(aminomethyl)-2-ethyl-N,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine
CID 64109645
4-(aminomethyl)-N,2,2-trimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine
CID 64109840
4-(aminomethyl)-2-ethyl-N-(oxolan-2-ylmethyl)oxan-4-amine
CID 65376940
1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65377348
4-(aminomethyl)-2-ethyl-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine
CID 65377972
4-(aminomethyl)-N-(oxolan-2-ylmethyl)-2-propyloxan-4-amine
CID 65378174
4-(aminomethyl)-N-(oxolan-2-ylmethyl)-2-propan-2-yloxan-4-amine
CID 65378175
4-(aminomethyl)-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine
CID 65378393
4-(aminomethyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine
CID 65378394

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methoxy-N-[(2-methyloxolan-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-methoxy-N-[(2-methyloxolan-2-yl)methyl]cyclohexan-1-amine (CID 106872670) is 1-(aminomethyl)-3-methoxy-N-[(2-methyloxolan-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-methoxy-N-[(2-methyloxolan-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-methoxy-N-[(2-methyloxolan-2-yl)methyl]cyclohexan-1-amine is COC1CCCC(CN)(NCC2(C)CCCO2)C1.
What is the InChIKey of 1-(aminomethyl)-3-methoxy-N-[(2-methyloxolan-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is CBEXNJFNPACKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(6-4-8-18-13)11-16-14(10-15)7-3-5-12(9-14)17-2/h12,16H,3-11,15H2,1-2H3.
What are the key properties of 1-(aminomethyl)-3-methoxy-N-[(2-methyloxolan-2-yl)methyl]cyclohexan-1-amine?
1-(aminomethyl)-3-methoxy-N-[(2-methyloxolan-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methoxy-N-[(2-methyloxolan-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 106872670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).