N'-[(3-aminocyclohexyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C15H33N3 — CID 63045256

IUPACN'-[(3-aminocyclohexyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)CC1CCCC(N)C1
InChIInChI=1S/C15H33N3/c1-13(2)11-18(9-8-17(3)4)12-14-6-5-7-15(16)10-14/h13-15H,5-12,16H2,1-4H3
InChIKeyPLECRDBIDLIPSG-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.02
Rot. Bonds7

About N'-[(3-aminocyclohexyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[(3-aminocyclohexyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 63045256) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N'-[(3-aminocyclohexyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-aminocyclohexyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID63045256
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN'-[(3-aminocyclohexyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)CC1CCCC(N)C1
InChIInChI=1S/C15H33N3/c1-13(2)11-18(9-8-17(3)4)12-14-6-5-7-15(16)10-14/h13-15H,5-12,16H2,1-4H3
InChIKeyPLECRDBIDLIPSG-UHFFFAOYSA-N
XLogP2.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[ethyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 63046464
trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine
CID 95363630
3-(diethylaminomethyl)cyclohexan-1-amine
CID 63045933
3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 55135498
3-(4-methylpentyl)cyclohexan-1-amine
CID 83169215
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexan-1-amine
CID 81055685
1-N-(2-methylpropyl)-1-N-propan-2-ylcyclohexane-1,3-diamine
CID 79469037
N'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994345
ethane;3-ethylcyclohexan-1-amine
CID 164855900
3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 63234589
2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide
CID 62782922
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 79527297

Frequently Asked Questions

What is the IUPAC name of N'-[(3-aminocyclohexyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[(3-aminocyclohexyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 63045256) is N'-[(3-aminocyclohexyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(3-aminocyclohexyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(3-aminocyclohexyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCN(C)C)CC1CCCC(N)C1.
What is the InChIKey of N'-[(3-aminocyclohexyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is PLECRDBIDLIPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-13(2)11-18(9-8-17(3)4)12-14-6-5-7-15(16)10-14/h13-15H,5-12,16H2,1-4H3.
What are the key properties of N'-[(3-aminocyclohexyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[(3-aminocyclohexyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-aminocyclohexyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 63045256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).