1-[[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine

C17H35N3 — CID 83114352

IUPAC1-[[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CN2CCC(CNC(C)(C)C)C2)CCCC1
InChIInChI=1S/C17H35N3/c1-16(2,3)18-12-15-8-11-20(13-15)14-17(19(4)5)9-6-7-10-17/h15,18H,6-14H2,1-5H3
InChIKeyVZKBLWJEINTOOG-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds5

About 1-[[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine

1-[[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 83114352) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-[[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID83114352
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-[[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CN2CCC(CNC(C)(C)C)C2)CCCC1
InChIInChI=1S/C17H35N3/c1-16(2,3)18-12-15-8-11-20(13-15)14-17(19(4)5)9-6-7-10-17/h15,18H,6-14H2,1-5H3
InChIKeyVZKBLWJEINTOOG-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(ethylaminomethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83114104
[1-[[1-(dimethylamino)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 83115466
1-[[1-(dimethylamino)cyclopentyl]methyl]pyrrolidin-3-amine
CID 83115236
N-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512373
2-methyl-N-[[1-(1-methylcyclopentyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 64689210
1-[[1-(dimethylamino)cyclopentyl]methyl]piperidin-3-amine
CID 83115160
N-[[1-[3-(dimethylamino)propyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512405
N-[[1-[2-[ethyl(methyl)amino]ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62641948
2-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513718
N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62512541
2-methyl-N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 63243856
2-methyl-N-[[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511581

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine (CID 83114352) is 1-[[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine is CN(C)C1(CN2CCC(CNC(C)(C)C)C2)CCCC1.
What is the InChIKey of 1-[[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is VZKBLWJEINTOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-16(2,3)18-12-15-8-11-20(13-15)14-17(19(4)5)9-6-7-10-17/h15,18H,6-14H2,1-5H3.
What are the key properties of 1-[[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine?
1-[[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 83114352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).