N'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine

C17H37N3 — CID 102997145

IUPACN'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine
SMILESCCN(CCCN(C)C)CC1(CNC)CCC(C)CC1
InChIInChI=1S/C17H37N3/c1-6-20(13-7-12-19(4)5)15-17(14-18-3)10-8-16(2)9-11-17/h16,18H,6-15H2,1-5H3
InChIKeyHMRABUOOVATBQD-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.68
Rot. Bonds9

About N'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine

N'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine (PubChem CID 102997145) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine
PubChem CID102997145
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine
SMILESCCN(CCCN(C)C)CC1(CNC)CCC(C)CC1
InChIInChI=1S/C17H37N3/c1-6-20(13-7-12-19(4)5)15-17(14-18-3)10-8-16(2)9-11-17/h16,18H,6-15H2,1-5H3
InChIKeyHMRABUOOVATBQD-UHFFFAOYSA-N
XLogP2.68
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N,N-dimethyl-N'-[[1-(methylaminomethyl)cyclopentyl]methyl]propane-1,3-diamine
CID 102997109
N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine
CID 102997141
N,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine
CID 102997192
N'-[[1-(aminomethyl)cyclopropyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994374
N-ethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]propan-1-amine
CID 168996046
2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486759
N-methyl-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]-2-propan-2-yloxyethanamine
CID 81074520
N-ethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine
CID 62392172
1-[[methyl-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]amino]methyl]cyclopentan-1-ol
CID 114953505
ethane;1-(1-ethyl-3-methylcyclopentyl)-N-methylmethanamine
CID 144836512
[1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol
CID 102997292
N-(3-methylbutyl)-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]cyclopropanamine
CID 79025921

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine (CID 102997145) is N'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine is CCN(CCCN(C)C)CC1(CNC)CCC(C)CC1.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine?
The InChIKey is HMRABUOOVATBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-6-20(13-7-12-19(4)5)15-17(14-18-3)10-8-16(2)9-11-17/h16,18H,6-15H2,1-5H3.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine?
N'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 102997145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).