5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N,2,2-trimethylcyclopentan-1-amine

C16H33N3 — CID 79855490

IUPAC5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(CN2CCCC2CN(C)C)CCC1(C)C
InChIInChI=1S/C16H33N3/c1-16(2)9-8-13(15(16)17-3)11-19-10-6-7-14(19)12-18(4)5/h13-15,17H,6-12H2,1-5H3
InChIKeyPBGQWAOCRMSOCN-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.04
Rot. Bonds5

About 5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N,2,2-trimethylcyclopentan-1-amine

5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N,2,2-trimethylcyclopentan-1-amine (PubChem CID 79855490) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N,2,2-trimethylcyclopentan-1-amine
PubChem CID79855490
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(CN2CCCC2CN(C)C)CCC1(C)C
InChIInChI=1S/C16H33N3/c1-16(2)9-8-13(15(16)17-3)11-19-10-6-7-14(19)12-18(4)5/h13-15,17H,6-12H2,1-5H3
InChIKeyPBGQWAOCRMSOCN-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine
CID 79866831
N,2,2-trimethyl-5-[(3-methylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 79866936
1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]piperidin-4-ol
CID 79867046
5-[(4-tert-butylazepan-1-yl)methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79866412
2-[1-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]piperidin-2-yl]ethanol
CID 79866086
N,N-dimethyl-1-[1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanamine
CID 62888681
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine
CID 79865652
N,2,2-trimethyl-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentan-1-amine
CID 102745812
1-[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62888537
N,2,2-trimethyl-5-[(4-propylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 79865903
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-ol
CID 55128147
N,2,2-trimethyl-6-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-amine
CID 79853010

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of 5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N,2,2-trimethylcyclopentan-1-amine (CID 79855490) is 5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for 5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for 5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N,2,2-trimethylcyclopentan-1-amine is CNC1C(CN2CCCC2CN(C)C)CCC1(C)C.
What is the InChIKey of 5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is PBGQWAOCRMSOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-16(2)9-8-13(15(16)17-3)11-19-10-6-7-14(19)12-18(4)5/h13-15,17H,6-12H2,1-5H3.
What are the key properties of 5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N,2,2-trimethylcyclopentan-1-amine?
5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 79855490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).