N,2-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine

C13H27N3 — CID 117044509

IUPACN,2-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
SMILESCNCC(C)(C)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H27N3/c1-13(2,11-14-3)16-9-6-12(10-16)15-7-4-5-8-15/h12,14H,4-11H2,1-3H3
InChIKeyBKYKRLGDEKXOFE-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.15
Rot. Bonds4

About N,2-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine

N,2-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine (PubChem CID 117044509) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N,2-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
PubChem CID117044509
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN,2-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
SMILESCNCC(C)(C)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H27N3/c1-13(2,11-14-3)16-9-6-12(10-16)15-7-4-5-8-15/h12,14H,4-11H2,1-3H3
InChIKeyBKYKRLGDEKXOFE-UHFFFAOYSA-N
XLogP1.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
CID 166567497
2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926914
2-cyclopropyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
CID 63171783
3-methoxy-2-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-amine
CID 63169633
2-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 122520116
N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
CID 63168780
2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 23403360
1-(1-tert-butylpyrrolidin-3-yl)-1,4-diazepane
CID 117004540
N-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 63166994
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-N,2-dimethylpentan-1-amine
CID 63151603
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine
CID 166567506
1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine
CID 167291830

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine?
The IUPAC name of N,2-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine (CID 117044509) is N,2-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine is CNCC(C)(C)N1CCC(N2CCCC2)C1.
What is the InChIKey of N,2-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine?
The InChIKey is BKYKRLGDEKXOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-13(2,11-14-3)16-9-6-12(10-16)15-7-4-5-8-15/h12,14H,4-11H2,1-3H3.
What are the key properties of N,2-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine?
N,2-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 117044509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).