2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine

C16H34N2O — CID 64734672

IUPAC2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCCC(C)N(CCOC)CC1C(C)CC(C)CC1N
InChIInChI=1S/C16H34N2O/c1-6-14(4)18(7-8-19-5)11-15-13(3)9-12(2)10-16(15)17/h12-16H,6-11,17H2,1-5H3
InChIKeyWRYHOGOKWAHJTO-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.74
Rot. Bonds7

About 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine

2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 64734672) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID64734672
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCCC(C)N(CCOC)CC1C(C)CC(C)CC1N
InChIInChI=1S/C16H34N2O/c1-6-14(4)18(7-8-19-5)11-15-13(3)9-12(2)10-16(15)17/h12-16H,6-11,17H2,1-5H3
InChIKeyWRYHOGOKWAHJTO-UHFFFAOYSA-N
XLogP2.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 82952445
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734671
2-[[3-methoxypropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736449
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62611562
2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735424
2-[[butyl(ethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735421
2-N-(3-methoxypropyl)-2-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64751365
2-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]ethanol
CID 64735435
2-[[cyclopropylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736034
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-4-tert-butylcyclohexan-1-ol
CID 62610969
5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79855167
N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine
CID 64735427

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine (CID 64734672) is 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine is CCC(C)N(CCOC)CC1C(C)CC(C)CC1N.
What is the InChIKey of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is WRYHOGOKWAHJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-14(4)18(7-8-19-5)11-15-13(3)9-12(2)10-16(15)17/h12-16H,6-11,17H2,1-5H3.
What are the key properties of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine?
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64734672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).