N'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine

C13H28N2 — CID 106662472

IUPACN'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine
SMILESCCN(C)CCNC1CC(C)(C)CC1C
InChIInChI=1S/C13H28N2/c1-6-15(5)8-7-14-12-10-13(3,4)9-11(12)2/h11-12,14H,6-10H2,1-5H3
InChIKeyQJJINPRCAGQNNX-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds5

About N'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine

N'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine (PubChem CID 106662472) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine
PubChem CID106662472
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine
SMILESCCN(C)CCNC1CC(C)(C)CC1C
InChIInChI=1S/C13H28N2/c1-6-15(5)8-7-14-12-10-13(3,4)9-11(12)2/h11-12,14H,6-10H2,1-5H3
InChIKeyQJJINPRCAGQNNX-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine
CID 106662443
2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 106661565
6-[(2,4,4-trimethylcyclopentyl)amino]hexan-1-ol
CID 106813241
3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid
CID 106661765
N-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide
CID 99836162
N,N,2,2-tetramethyl-N'-(2,4,4-trimethylcyclopentyl)propane-1,3-diamine
CID 106661540
2-[2-[ethyl(methyl)amino]ethylamino]cyclohexan-1-ol
CID 62636782
2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine
CID 106662463
2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine
CID 106662465
N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide
CID 99838091
2-ethyl-2-[[(2,4,4-trimethylcyclopentyl)amino]methyl]butanoic acid
CID 122128443
2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
CID 106662513

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine (CID 106662472) is N'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine is CCN(C)CCNC1CC(C)(C)CC1C.
What is the InChIKey of N'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine?
The InChIKey is QJJINPRCAGQNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-15(5)8-7-14-12-10-13(3,4)9-11(12)2/h11-12,14H,6-10H2,1-5H3.
What are the key properties of N'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine?
N'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine is sourced from PubChem (CID 106662472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).