(3R)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]-N-methylpyrrolidin-3-amine

C15H31N3 — CID 58689034

IUPAC(3R)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]-N-methylpyrrolidin-3-amine
SMILESCNCC1(N2CC[C@@H](NC)C2)CCC(C)(C)CC1
InChIInChI=1S/C15H31N3/c1-14(2)6-8-15(9-7-14,12-16-3)18-10-5-13(11-18)17-4/h13,16-17H,5-12H2,1-4H3/t13-/m1/s1
InChIKeyGSHHINPCONUWQF-CYBMUJFWSA-N
MW253.43 g/mol
LogP1.84
Rot. Bonds4

About (3R)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]-N-methylpyrrolidin-3-amine

(3R)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]-N-methylpyrrolidin-3-amine (PubChem CID 58689034) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is (3R)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]-N-methylpyrrolidin-3-amine
PubChem CID58689034
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name(3R)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]-N-methylpyrrolidin-3-amine
SMILESCNCC1(N2CC[C@@H](NC)C2)CCC(C)(C)CC1
InChIInChI=1S/C15H31N3/c1-14(2)6-8-15(9-7-14,12-16-3)18-10-5-13(11-18)17-4/h13,16-17H,5-12H2,1-4H3/t13-/m1/s1
InChIKeyGSHHINPCONUWQF-CYBMUJFWSA-N
XLogP1.84
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]pyrrolidin-3-ol
CID 58689270
N-methyl-1-(1-propan-2-ylcyclopropyl)pyrrolidin-3-amine
CID 131048590
N-methyl-1-(1,2,3,5,6,7,8,9-octahydropyrrolo[1,2-a]azepin-9a-yl)methanamine
CID 121207930
[3,3-dimethyl-1-(3-methylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 80705878
1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine
CID 115300022
1-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]pyrrolidin-3-amine
CID 115244573
(3R)-N-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-amine
CID 167064829
2-(4,4-dimethylpiperidin-1-yl)-N-methylethanamine
CID 14979285
(3R)-1-iodo-N-methylpyrrolidin-3-amine
CID 138494827
N-methyl-1-(2-propoxyethyl)pyrrolidin-3-amine
CID 106455097
N,1-dimethylpyrrolidin-3-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 162222118
[3,3-dimethyl-1-(3-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 80705682

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]-N-methylpyrrolidin-3-amine (CID 58689034) is (3R)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]-N-methylpyrrolidin-3-amine is CNCC1(N2CC[C@@H](NC)C2)CCC(C)(C)CC1.
What is the InChIKey of (3R)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]-N-methylpyrrolidin-3-amine?
The InChIKey is GSHHINPCONUWQF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H31N3/c1-14(2)6-8-15(9-7-14,12-16-3)18-10-5-13(11-18)17-4/h13,16-17H,5-12H2,1-4H3/t13-/m1/s1.
What are the key properties of (3R)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]-N-methylpyrrolidin-3-amine?
(3R)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]-N-methylpyrrolidin-3-amine has a molecular weight of 253.43 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 58689034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).