N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine

C16H30BrN — CID 65010270

IUPACN-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine
SMILESCN(CC1(CBr)CCCCCC1)C1CCCCC1
InChIInChI=1S/C16H30BrN/c1-18(15-9-5-4-6-10-15)14-16(13-17)11-7-2-3-8-12-16/h15H,2-14H2,1H3
InChIKeyPTASIQDNOXJBBB-UHFFFAOYSA-N
MW316.33 g/mol
LogP4.99
Rot. Bonds4

About N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine

N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine (PubChem CID 65010270) has the molecular formula C16H30BrN and a molecular weight of 316.33 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine
PubChem CID65010270
Molecular FormulaC16H30BrN
Molecular Weight316.33 g/mol
Exact Mass315.16
IUPAC NameN-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine
SMILESCN(CC1(CBr)CCCCCC1)C1CCCCC1
InChIInChI=1S/C16H30BrN/c1-18(15-9-5-4-6-10-15)14-16(13-17)11-7-2-3-8-12-16/h15H,2-14H2,1H3
InChIKeyPTASIQDNOXJBBB-UHFFFAOYSA-N
XLogP4.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(bromomethyl)cycloheptyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 65010272
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methylcyclopentanamine
CID 65004803
N-[[1-(bromomethyl)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 65002528
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine
CID 82747858
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-ethylcyclohexanamine
CID 65009192
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylcyclopropanamine
CID 65010174
N-[(1-fluorocyclopropyl)methyl]-N-methylcyclopentanamine
CID 130693587
1-[[1-(bromomethyl)cycloheptyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 65010468
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
CID 65010072
2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol
CID 65009202
N-[[1-(bromomethyl)cyclobutyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65009854
N-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-N-methylcyclohexanamine
CID 62392849

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine?
The IUPAC name of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine (CID 65010270) is N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine is CN(CC1(CBr)CCCCCC1)C1CCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine?
The InChIKey is PTASIQDNOXJBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30BrN/c1-18(15-9-5-4-6-10-15)14-16(13-17)11-7-2-3-8-12-16/h15H,2-14H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine?
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine has a molecular weight of 316.33 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine is sourced from PubChem (CID 65010270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).