4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine

C15H31N3O — CID 105414221

IUPAC4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine
SMILESCN(C)C1(CN(C)C2(CN)CCCOCC2)CCC1
InChIInChI=1S/C15H31N3O/c1-17(2)15(6-4-7-15)13-18(3)14(12-16)8-5-10-19-11-9-14/h4-13,16H2,1-3H3
InChIKeyLDHFDOORVCGECK-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.30
Rot. Bonds5

About 4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine

4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine (PubChem CID 105414221) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine
PubChem CID105414221
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine
SMILESCN(C)C1(CN(C)C2(CN)CCCOCC2)CCC1
InChIInChI=1S/C15H31N3O/c1-17(2)15(6-4-7-15)13-18(3)14(12-16)8-5-10-19-11-9-14/h4-13,16H2,1-3H3
InChIKeyLDHFDOORVCGECK-UHFFFAOYSA-N
XLogP1.30
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-butyl-N-methyloxepan-4-amine
CID 65078991
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine
CID 65079226
4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine
CID 65079500
4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine
CID 65079216
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 105413969
4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine
CID 65079215
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclopentan-1-amine
CID 105413972
4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine
CID 65079383
4-(aminomethyl)-N,N-bis(2-methylpropyl)oxepan-4-amine
CID 65079214
4-(aminomethyl)-N-(cyclopropylmethyl)-N-methyloxan-4-amine
CID 60984888
4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine
CID 65079445
2-N-[4-(aminomethyl)oxepan-4-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188230

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine (CID 105414221) is 4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine is CN(C)C1(CN(C)C2(CN)CCCOCC2)CCC1.
What is the InChIKey of 4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine?
The InChIKey is LDHFDOORVCGECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-17(2)15(6-4-7-15)13-18(3)14(12-16)8-5-10-19-11-9-14/h4-13,16H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine?
4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine has a molecular weight of 269.43 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine is sourced from PubChem (CID 105414221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).