N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine

C17H36N2 — CID 62262894

IUPACN-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)CC1(CNC(C)(C)C)CCCCC1
InChIInChI=1S/C17H36N2/c1-7-15(2)19(6)14-17(11-9-8-10-12-17)13-18-16(3,4)5/h15,18H,7-14H2,1-6H3
InChIKeyCAQKQDITLLLDAC-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds6

About N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine

N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine (PubChem CID 62262894) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine
PubChem CID62262894
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)CC1(CNC(C)(C)C)CCCCC1
InChIInChI=1S/C17H36N2/c1-7-15(2)19(6)14-17(11-9-8-10-12-17)13-18-16(3,4)5/h15,18H,7-14H2,1-6H3
InChIKeyCAQKQDITLLLDAC-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 63482009
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N,2-dimethylbutan-2-amine
CID 63964314
N-[[1-[[2-methoxyethyl(propan-2-yl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82941124
N-[[1-(2-ethylbutyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 82930165
2-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl-methylamino]ethanol
CID 62257930
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine
CID 55051857
N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699316
3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol
CID 62271713
2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 79842792
N,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
CID 63494958
2-methyl-N-[[3-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 112664942
N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]pentan-2-amine
CID 62257887

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine?
The IUPAC name of N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine (CID 62262894) is N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine.
What is the SMILES notation for N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine?
The canonical SMILES for N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine is CCC(C)N(C)CC1(CNC(C)(C)C)CCCCC1.
What is the InChIKey of N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine?
The InChIKey is CAQKQDITLLLDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-15(2)19(6)14-17(11-9-8-10-12-17)13-18-16(3,4)5/h15,18H,7-14H2,1-6H3.
What are the key properties of N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine?
N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine is sourced from PubChem (CID 62262894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).