N-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C16H24BrN3 — CID 102637593

IUPACN-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCN(c1ncnc2c1CCCCC2)C1CCCCC1Br
InChIInChI=1S/C16H24BrN3/c1-20(15-10-6-5-8-13(15)17)16-12-7-3-2-4-9-14(12)18-11-19-16/h11,13,15H,2-10H2,1H3
InChIKeyIDKNEHROYVHIAX-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.89
Rot. Bonds2

About N-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

N-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 102637593) has the molecular formula C16H24BrN3 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID102637593
Molecular FormulaC16H24BrN3
Molecular Weight338.29 g/mol
Exact Mass337.12
IUPAC NameN-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCN(c1ncnc2c1CCCCC2)C1CCCCC1Br
InChIInChI=1S/C16H24BrN3/c1-20(15-10-6-5-8-13(15)17)16-12-7-3-2-4-9-14(12)18-11-19-16/h11,13,15H,2-10H2,1H3
InChIKeyIDKNEHROYVHIAX-UHFFFAOYSA-N
XLogP3.89
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromocyclobutyl)methyl]-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 80680032
N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 102637671
N-(2-bromocyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 102637634
N-(2-bromocyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 102637670
N-(2-bromopropyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 80671403
N-methyl-N-piperidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63643061
N-methyl-N-(2-methyloxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 82740147
N-(2-bromocyclohexyl)-3-fluoro-N-methylpyridin-2-amine
CID 102637629
N-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80667019
N-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine
CID 102637591
N-(2-bromoethyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 80668669
N-(2-bromoethyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80673331

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of N-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 102637593) is N-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for N-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is CN(c1ncnc2c1CCCCC2)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is IDKNEHROYVHIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3/c1-20(15-10-6-5-8-13(15)17)16-12-7-3-2-4-9-14(12)18-11-19-16/h11,13,15H,2-10H2,1H3.
What are the key properties of N-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
N-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 338.29 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 102637593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).