N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C15H31BrN2 — CID 65002076

IUPACN'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)CC1(CBr)CCCCC1
InChIInChI=1S/C15H31BrN2/c1-4-10-18(12-11-17(2)3)14-15(13-16)8-6-5-7-9-15/h4-14H2,1-3H3
InChIKeyATNBSXOLKDGUCB-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.61
Rot. Bonds8

About N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 65002076) has the molecular formula C15H31BrN2 and a molecular weight of 319.33 g/mol. Its IUPAC name is N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID65002076
Molecular FormulaC15H31BrN2
Molecular Weight319.33 g/mol
Exact Mass318.17
IUPAC NameN'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)CC1(CBr)CCCCC1
InChIInChI=1S/C15H31BrN2/c1-4-10-18(12-11-17(2)3)14-15(13-16)8-6-5-7-9-15/h4-14H2,1-3H3
InChIKeyATNBSXOLKDGUCB-UHFFFAOYSA-N
XLogP3.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine
CID 65002069
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 65010133
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
CID 65010072
N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 65009044
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
CID 65002013
N'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 65002615
N'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 81170922
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65001962
2-[1-[[2-(dimethylamino)ethyl-propylamino]methyl]cyclopropyl]acetic acid
CID 65496112
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-butylbutan-1-amine
CID 65013664
N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 55194825
N,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine
CID 104594977

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 65002076) is N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)CC1(CBr)CCCCC1.
What is the InChIKey of N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is ATNBSXOLKDGUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31BrN2/c1-4-10-18(12-11-17(2)3)14-15(13-16)8-6-5-7-9-15/h4-14H2,1-3H3.
What are the key properties of N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 319.33 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 65002076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).