3-(aminomethyl)-N-cycloheptyl-2-methyloxolan-3-amine

C13H26N2O — CID 82719174

IUPAC3-(aminomethyl)-N-cycloheptyl-2-methyloxolan-3-amine
SMILESCC1OCCC1(CN)NC1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-11-13(10-14,8-9-16-11)15-12-6-4-2-3-5-7-12/h11-12,15H,2-10,14H2,1H3
InChIKeyREQHXNBZCHKYSD-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.81
Rot. Bonds3

About 3-(aminomethyl)-N-cycloheptyl-2-methyloxolan-3-amine

3-(aminomethyl)-N-cycloheptyl-2-methyloxolan-3-amine (PubChem CID 82719174) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cycloheptyl-2-methyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-cycloheptyl-2-methyloxolan-3-amine
PubChem CID82719174
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(aminomethyl)-N-cycloheptyl-2-methyloxolan-3-amine
SMILESCC1OCCC1(CN)NC1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-11-13(10-14,8-9-16-11)15-12-6-4-2-3-5-7-12/h11-12,15H,2-10,14H2,1H3
InChIKeyREQHXNBZCHKYSD-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-cycloheptyl-2-methyloxan-4-amine
CID 65379737
3-(aminomethyl)-2-methyl-N-propyloxolan-3-amine
CID 82718753
3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine
CID 82717798
3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid
CID 82719422
3-(aminomethyl)-N-cyclohexyloxolan-3-amine
CID 65385376
3-(aminomethyl)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxolan-3-amine
CID 114466636
3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine
CID 82717506
N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]cyclohexanamine
CID 79857362
1-(aminomethyl)-N-cyclohexyl-2,2-dimethylcyclohexan-1-amine
CID 79847390
N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine
CID 65379539
(3-ethyl-2-methyloxolan-3-yl)methanamine
CID 114533945
1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107265907

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cycloheptyl-2-methyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-cycloheptyl-2-methyloxolan-3-amine (CID 82719174) is 3-(aminomethyl)-N-cycloheptyl-2-methyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-cycloheptyl-2-methyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-cycloheptyl-2-methyloxolan-3-amine is CC1OCCC1(CN)NC1CCCCCC1.
What is the InChIKey of 3-(aminomethyl)-N-cycloheptyl-2-methyloxolan-3-amine?
The InChIKey is REQHXNBZCHKYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-13(10-14,8-9-16-11)15-12-6-4-2-3-5-7-12/h11-12,15H,2-10,14H2,1H3.
What are the key properties of 3-(aminomethyl)-N-cycloheptyl-2-methyloxolan-3-amine?
3-(aminomethyl)-N-cycloheptyl-2-methyloxolan-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cycloheptyl-2-methyloxolan-3-amine is sourced from PubChem (CID 82719174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).