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

C14H26BrN — CID 65010174

IUPACN-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylcyclopropanamine
SMILESCCN(CC1(CBr)CCCCCC1)C1CC1
InChIInChI=1S/C14H26BrN/c1-2-16(13-7-8-13)12-14(11-15)9-5-3-4-6-10-14/h13H,2-12H2,1H3
InChIKeyMKHCHEGCOHJQQV-UHFFFAOYSA-N
MW288.27 g/mol
LogP4.21
Rot. Bonds5

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

N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylcyclopropanamine (PubChem CID 65010174) has the molecular formula C14H26BrN and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylcyclopropanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylcyclopropanamine
PubChem CID65010174
Molecular FormulaC14H26BrN
Molecular Weight288.27 g/mol
Exact Mass287.12
IUPAC NameN-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylcyclopropanamine
SMILESCCN(CC1(CBr)CCCCCC1)C1CC1
InChIInChI=1S/C14H26BrN/c1-2-16(13-7-8-13)12-14(11-15)9-5-3-4-6-10-14/h13H,2-12H2,1H3
InChIKeyMKHCHEGCOHJQQV-UHFFFAOYSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 54.21
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)cyclobutyl]methyl]-N-ethylcyclohexanamine
CID 65009192
N-[[1-(aminomethyl)cyclohexyl]methyl]-N-ethylcyclopropanamine
CID 62261407
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
CID 65010072
N-ethyl-N-[(3-ethylpiperidin-3-yl)methyl]cyclopropanamine
CID 63133416
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine
CID 65010270
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-ethylcyclohexanamine
CID 115453629
N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]cyclopropanamine
CID 63133418
2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol
CID 65009202
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine
CID 65002069
N-[(1-aminocyclopentyl)methyl]-N-ethylcyclohexanamine
CID 60852825
N-[[1-(bromomethyl)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 65002528
N-[[1-(bromomethyl)cycloheptyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 65010272

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylcyclopropanamine?
The IUPAC name of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylcyclopropanamine (CID 65010174) is N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylcyclopropanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylcyclopropanamine?
The canonical SMILES for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylcyclopropanamine is CCN(CC1(CBr)CCCCCC1)C1CC1.
What is the InChIKey of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylcyclopropanamine?
The InChIKey is MKHCHEGCOHJQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrN/c1-2-16(13-7-8-13)12-14(11-15)9-5-3-4-6-10-14/h13H,2-12H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylcyclopropanamine?
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylcyclopropanamine has a molecular weight of 288.27 g/mol, XLogP of 4.21, 5 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-ethylcyclopropanamine is sourced from PubChem (CID 65010174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).