4-[(cycloheptylamino)methyl]-4-methyloxolan-3-amine

C13H26N2O — CID 66264626

IUPAC4-[(cycloheptylamino)methyl]-4-methyloxolan-3-amine
SMILESCC1(CNC2CCCCCC2)COCC1N
InChIInChI=1S/C13H26N2O/c1-13(10-16-8-12(13)14)9-15-11-6-4-2-3-5-7-11/h11-12,15H,2-10,14H2,1H3
InChIKeyRVSIKNZYGIDYBX-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.66
Rot. Bonds3

About 4-[(cycloheptylamino)methyl]-4-methyloxolan-3-amine

4-[(cycloheptylamino)methyl]-4-methyloxolan-3-amine (PubChem CID 66264626) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-[(cycloheptylamino)methyl]-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[(cycloheptylamino)methyl]-4-methyloxolan-3-amine
PubChem CID66264626
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-[(cycloheptylamino)methyl]-4-methyloxolan-3-amine
SMILESCC1(CNC2CCCCCC2)COCC1N
InChIInChI=1S/C13H26N2O/c1-13(10-16-8-12(13)14)9-15-11-6-4-2-3-5-7-11/h11-12,15H,2-10,14H2,1H3
InChIKeyRVSIKNZYGIDYBX-UHFFFAOYSA-N
XLogP1.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-[[(1-methylcyclopentyl)amino]methyl]oxolan-3-amine
CID 66263653
N-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine
CID 13404591
N-[(2-fluoro-1-methylcyclopropyl)methyl]cyclopentanamine
CID 130942520
N-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohexanamine
CID 131153771
4-amino-N-(1-cyclohexylpropyl)-3-methyloxolane-3-carboxamide
CID 66263325
3-[(cyclopentylamino)methyl]oxolan-3-amine
CID 64893450
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cycloheptanamine
CID 66475934
cyclohexanamine;N-ethylcyclohexanamine
CID 22649726
4-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
CID 66263926
N-[(3-methyloxolan-3-yl)methyl]cyclobutanamine
CID 130621360
N-ethylcyclooctanamine
CID 13112621
N-ethylcyclodecanamine
CID 148546213

Frequently Asked Questions

What is the IUPAC name of 4-[(cycloheptylamino)methyl]-4-methyloxolan-3-amine?
The IUPAC name of 4-[(cycloheptylamino)methyl]-4-methyloxolan-3-amine (CID 66264626) is 4-[(cycloheptylamino)methyl]-4-methyloxolan-3-amine.
What is the SMILES notation for 4-[(cycloheptylamino)methyl]-4-methyloxolan-3-amine?
The canonical SMILES for 4-[(cycloheptylamino)methyl]-4-methyloxolan-3-amine is CC1(CNC2CCCCCC2)COCC1N.
What is the InChIKey of 4-[(cycloheptylamino)methyl]-4-methyloxolan-3-amine?
The InChIKey is RVSIKNZYGIDYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(10-16-8-12(13)14)9-15-11-6-4-2-3-5-7-11/h11-12,15H,2-10,14H2,1H3.
What are the key properties of 4-[(cycloheptylamino)methyl]-4-methyloxolan-3-amine?
4-[(cycloheptylamino)methyl]-4-methyloxolan-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cycloheptylamino)methyl]-4-methyloxolan-3-amine is sourced from PubChem (CID 66264626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).