1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine

C16H34N2 — CID 55192853

IUPAC1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine
SMILESCCNC1CCCCCCCCCCC1N(C)C
InChIInChI=1S/C16H34N2/c1-4-17-15-13-11-9-7-5-6-8-10-12-14-16(15)18(2)3/h15-17H,4-14H2,1-3H3
InChIKeyYTFUTLZDLNIJGE-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds3

About 1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine

1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine (PubChem CID 55192853) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine
PubChem CID55192853
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine
SMILESCCNC1CCCCCCCCCCC1N(C)C
InChIInChI=1S/C16H34N2/c1-4-17-15-13-11-9-7-5-6-8-10-12-14-16(15)18(2)3/h15-17H,4-14H2,1-3H3
InChIKeyYTFUTLZDLNIJGE-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 134438411
2-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63694161
2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid
CID 96885494
2-[[2-(ethylamino)cyclohexyl]methyl-methylamino]cyclohexan-1-ol
CID 102636948
2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine
CID 55194190
2-N-benzyl-1-N,1-N-dimethylcycloheptane-1,2-diamine;dihydrochloride
CID 23349763
1-N-ethylcyclononane-1,2-diamine
CID 123480411
2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62616008
N-[2-[2-(ethylamino)cyclopentyl]ethyl]-N,2-dimethylcyclohexan-1-amine
CID 79565613
N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine
CID 62615233
(1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134438157
2-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 63631296

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine (CID 55192853) is 1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine is CCNC1CCCCCCCCCCC1N(C)C.
What is the InChIKey of 1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine?
The InChIKey is YTFUTLZDLNIJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-17-15-13-11-9-7-5-6-8-10-12-14-16(15)18(2)3/h15-17H,4-14H2,1-3H3.
What are the key properties of 1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine?
1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine is sourced from PubChem (CID 55192853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).