1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine

C18H29BrN2 — CID 63470621

IUPAC1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine
SMILESCC1CC(C)(C)CC(CN)(N(C)Cc2cccc(Br)c2)C1
InChIInChI=1S/C18H29BrN2/c1-14-9-17(2,3)12-18(10-14,13-20)21(4)11-15-6-5-7-16(19)8-15/h5-8,14H,9-13,20H2,1-4H3
InChIKeyNZBQKLPWZJMXFZ-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.42
Rot. Bonds4

About 1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine

1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine (PubChem CID 63470621) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine
PubChem CID63470621
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC Name1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine
SMILESCC1CC(C)(C)CC(CN)(N(C)Cc2cccc(Br)c2)C1
InChIInChI=1S/C18H29BrN2/c1-14-9-17(2,3)12-18(10-14,13-20)21(4)11-15-6-5-7-16(19)8-15/h5-8,14H,9-13,20H2,1-4H3
InChIKeyNZBQKLPWZJMXFZ-UHFFFAOYSA-N
XLogP4.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine
CID 106821849
2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine
CID 61415233
1-(aminomethyl)-N,3,3,5-tetramethyl-N-[(2-methylcyclopropyl)methyl]cyclohexan-1-amine
CID 63878729
3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine
CID 63335444
3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82717967
4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine
CID 65079383
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylcyclobutan-1-amine
CID 103562677
1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine
CID 43176319
1-(aminomethyl)-N,3,3,5-tetramethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 81059715
1-(aminomethyl)-N,4-dimethyl-N-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 65084665
1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64746825
1-(aminomethyl)-3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 64501769

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine (CID 63470621) is 1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine is CC1CC(C)(C)CC(CN)(N(C)Cc2cccc(Br)c2)C1.
What is the InChIKey of 1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine?
The InChIKey is NZBQKLPWZJMXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-14-9-17(2,3)12-18(10-14,13-20)21(4)11-15-6-5-7-16(19)8-15/h5-8,14H,9-13,20H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine?
1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine has a molecular weight of 353.35 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 63470621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).