N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine

C18H36N2 — CID 79183549

IUPACN-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(CC2(CNC(C)(C)C)CCCCC2)CC1C
InChIInChI=1S/C18H36N2/c1-15-11-20(12-16(15)2)14-18(9-7-6-8-10-18)13-19-17(3,4)5/h15-16,19H,6-14H2,1-5H3
InChIKeyGJAVLSTWAOFBLX-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds4

About N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine

N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 79183549) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID79183549
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(CC2(CNC(C)(C)C)CCCCC2)CC1C
InChIInChI=1S/C18H36N2/c1-15-11-20(12-16(15)2)14-18(9-7-6-8-10-18)13-19-17(3,4)5/h15-16,19H,6-14H2,1-5H3
InChIKeyGJAVLSTWAOFBLX-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 79183944
N-[[1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63483576
1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine
CID 79183848
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine
CID 79184587
2-methyl-N-[[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62973882
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 79184034
2-methyl-N-[[1-[(2,2,6-trimethylmorpholin-4-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 62260292
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
CID 79183947
[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-3-yl]methanol
CID 62276274
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methanol
CID 79184222
N-[[1-[(2,5-dimethylmorpholin-4-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 62258028
1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol
CID 106837816

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine (CID 79183549) is N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine is CC1CN(CC2(CNC(C)(C)C)CCCCC2)CC1C.
What is the InChIKey of N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is GJAVLSTWAOFBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-15-11-20(12-16(15)2)14-18(9-7-6-8-10-18)13-19-17(3,4)5/h15-16,19H,6-14H2,1-5H3.
What are the key properties of N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79183549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).