4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine

C16H26N2O — CID 65079215

IUPAC4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine
SMILESCc1cccc(CN(C)C2(CN)CCCOCC2)c1
InChIInChI=1S/C16H26N2O/c1-14-5-3-6-15(11-14)12-18(2)16(13-17)7-4-9-19-10-8-16/h3,5-6,11H,4,7-10,12-13,17H2,1-2H3
InChIKeyDVGJDSBVTCAIEJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.32
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine

4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine (PubChem CID 65079215) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine
PubChem CID65079215
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine
SMILESCc1cccc(CN(C)C2(CN)CCCOCC2)c1
InChIInChI=1S/C16H26N2O/c1-14-5-3-6-15(11-14)12-18(2)16(13-17)7-4-9-19-10-8-16/h3,5-6,11H,4,7-10,12-13,17H2,1-2H3
InChIKeyDVGJDSBVTCAIEJ-UHFFFAOYSA-N
XLogP2.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine
CID 65079383
4-(aminomethyl)-N,1-dimethyl-N-[(3-methylphenyl)methyl]azepan-4-amine
CID 65075352
1-(aminomethyl)-N,4-dimethyl-N-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 65084665
4-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]oxepan-4-amine
CID 65079216
4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine
CID 65079500
1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 106872249
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448986
3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine
CID 63335444
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 62010146
3-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methyloxolan-3-amine
CID 63335498
1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61420272
1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 28798848

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine (CID 65079215) is 4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine is Cc1cccc(CN(C)C2(CN)CCCOCC2)c1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine?
The InChIKey is DVGJDSBVTCAIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-5-3-6-15(11-14)12-18(2)16(13-17)7-4-9-19-10-8-16/h3,5-6,11H,4,7-10,12-13,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine?
4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine is sourced from PubChem (CID 65079215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).