N-[[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

C17H34N2 — CID 64742879

IUPACN-[[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC1CCC(N2CCC(CNC(C)(C)C)C2)CC1C
InChIInChI=1S/C17H34N2/c1-13-6-7-16(10-14(13)2)19-9-8-15(12-19)11-18-17(3,4)5/h13-16,18H,6-12H2,1-5H3
InChIKeyHORKBFNESLSUIH-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds3

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

N-[[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 64742879) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID64742879
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC1CCC(N2CCC(CNC(C)(C)C)C2)CC1C
InChIInChI=1S/C17H34N2/c1-13-6-7-16(10-14(13)2)19-9-8-15(12-19)11-18-17(3,4)5/h13-16,18H,6-12H2,1-5H3
InChIKeyHORKBFNESLSUIH-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512607
2-methyl-N-[[1-(1-methylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513098
2-[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]ethanol
CID 114799777
N-[[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]methyl]propan-1-amine
CID 64738282
N-[(1-cyclohexylpiperidin-4-yl)methyl]-2-methylpropan-2-amine
CID 63849814
N-[[1-(3,4-dimethylcyclohexyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 64738083
N-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 94464287
N-[[1-(3-methylcyclopentyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 114546859
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112588836
2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 63243856
1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
CID 64952254
(3S)-1-(3,4-dimethylcyclohexyl)-3-methylpiperazine
CID 104977366

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (CID 64742879) is N-[[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is CC1CCC(N2CCC(CNC(C)(C)C)C2)CC1C.
What is the InChIKey of N-[[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is HORKBFNESLSUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13-6-7-16(10-14(13)2)19-9-8-15(12-19)11-18-17(3,4)5/h13-16,18H,6-12H2,1-5H3.
What are the key properties of N-[[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64742879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).