N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine

C13H26N2O — CID 115438163

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine
SMILESNCC1(CNCC2CCOC2)CCCCC1
InChIInChI=1S/C13H26N2O/c14-10-13(5-2-1-3-6-13)11-15-8-12-4-7-16-9-12/h12,15H,1-11,14H2
InChIKeyURVPDMSWHPOGDU-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.52
Rot. Bonds5

About N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine

N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine (PubChem CID 115438163) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine
PubChem CID115438163
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine
SMILESNCC1(CNCC2CCOC2)CCCCC1
InChIInChI=1S/C13H26N2O/c14-10-13(5-2-1-3-6-13)11-15-8-12-4-7-16-9-12/h12,15H,1-11,14H2
InChIKeyURVPDMSWHPOGDU-UHFFFAOYSA-N
XLogP1.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine
CID 103969185
N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
CID 115887846
1-[(oxolan-3-ylmethylamino)methyl]cyclopropan-1-amine
CID 65457971
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine
CID 115245941
N-[(1-methylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
CID 115887835
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine
CID 115363368
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine
CID 115244358
2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide
CID 104677867
[1-(oxolan-3-ylmethylamino)cyclohexyl]methanol
CID 62520251
[1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine
CID 62109560
N-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide
CID 115365575
1-[[2-(oxolan-3-yl)ethylamino]methyl]cycloheptan-1-ol
CID 102672319

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine (CID 115438163) is N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine is NCC1(CNCC2CCOC2)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine?
The InChIKey is URVPDMSWHPOGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c14-10-13(5-2-1-3-6-13)11-15-8-12-4-7-16-9-12/h12,15H,1-11,14H2.
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine?
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 115438163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).