4-tert-butyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylcyclohexan-1-amine

C18H37N3 — CID 62887147

IUPAC4-tert-butyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1N1CCCC1CN(C)C
InChIInChI=1S/C18H37N3/c1-18(2,3)14-9-10-16(19-4)17(12-14)21-11-7-8-15(21)13-20(5)6/h14-17,19H,7-13H2,1-6H3
InChIKeySVXMKTDEFZXYLC-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.82
Rot. Bonds4

About 4-tert-butyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylcyclohexan-1-amine

4-tert-butyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylcyclohexan-1-amine (PubChem CID 62887147) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylcyclohexan-1-amine
PubChem CID62887147
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name4-tert-butyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1N1CCCC1CN(C)C
InChIInChI=1S/C18H37N3/c1-18(2,3)14-9-10-16(19-4)17(12-14)21-11-7-8-15(21)13-20(5)6/h14-17,19H,7-13H2,1-6H3
InChIKeySVXMKTDEFZXYLC-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,4-dimethylcyclohexan-1-amine
CID 55127469
4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine
CID 63468858
trans-(1R,2R)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]cyclohexan-1-ol
CID 102732104
4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 63483791
2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine
CID 113441646
[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propylcyclohexyl]methanamine
CID 62886963
1-[1-(2,6-dimethylpiperidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 114272137
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine
CID 62886977
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylcyclohexan-1-amine
CID 65320543
4-tert-butyl-2-(2-ethylazepan-1-yl)cyclohexane-1-carbonitrile
CID 104689861
1-[[5-tert-butyl-2-(methylamino)cyclohexyl]methyl-methylamino]propan-2-ol
CID 62608989
4-tert-butyl-N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 63493941

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylcyclohexan-1-amine (CID 62887147) is 4-tert-butyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylcyclohexan-1-amine is CNC1CCC(C(C)(C)C)CC1N1CCCC1CN(C)C.
What is the InChIKey of 4-tert-butyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylcyclohexan-1-amine?
The InChIKey is SVXMKTDEFZXYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-18(2,3)14-9-10-16(19-4)17(12-14)21-11-7-8-15(21)13-20(5)6/h14-17,19H,7-13H2,1-6H3.
What are the key properties of 4-tert-butyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylcyclohexan-1-amine?
4-tert-butyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylcyclohexan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 62887147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).