1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine

C16H32N2O — CID 63726971

IUPAC1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine
SMILESCN(CC1CCCOC1)C1(CN)CCCCCCC1
InChIInChI=1S/C16H32N2O/c1-18(12-15-8-7-11-19-13-15)16(14-17)9-5-3-2-4-6-10-16/h15H,2-14,17H2,1H3
InChIKeyAXTZCCQQMOWGJP-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.79
Rot. Bonds4

About 1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine

1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine (PubChem CID 63726971) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine
PubChem CID63726971
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine
SMILESCN(CC1CCCOC1)C1(CN)CCCCCCC1
InChIInChI=1S/C16H32N2O/c1-18(12-15-8-7-11-19-13-15)16(14-17)9-5-3-2-4-6-10-16/h15H,2-14,17H2,1H3
InChIKeyAXTZCCQQMOWGJP-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-N-(oxolan-3-ylmethyl)cycloheptan-1-amine
CID 62008518
4-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propylazepan-4-amine
CID 65075878
1-(aminomethyl)-N-(cyclopropylmethyl)-N-methylcyclooctan-1-amine
CID 60985128
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine
CID 65079226
1-(aminomethyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine
CID 79521344
3-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 63726456
1-(aminomethyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
CID 63725587
4-(aminomethyl)-N-(cyclopropylmethyl)-N-methyloxan-4-amine
CID 60984888
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
CID 63713295
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 115453877
3-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxolan-3-amine
CID 63630516
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine (CID 63726971) is 1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine is CN(CC1CCCOC1)C1(CN)CCCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine?
The InChIKey is AXTZCCQQMOWGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-18(12-15-8-7-11-19-13-15)16(14-17)9-5-3-2-4-6-10-16/h15H,2-14,17H2,1H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine?
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine is sourced from PubChem (CID 63726971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).