N-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine

C12H27N3 — CID 106039993

IUPACN-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine
SMILESCNC1CCN(CCCN(C)C(C)C)C1
InChIInChI=1S/C12H27N3/c1-11(2)14(4)7-5-8-15-9-6-12(10-15)13-3/h11-13H,5-10H2,1-4H3
InChIKeyXVYXCYJEEPRROI-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds6

About N-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine

N-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine (PubChem CID 106039993) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine
PubChem CID106039993
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine
SMILESCNC1CCN(CCCN(C)C(C)C)C1
InChIInChI=1S/C12H27N3/c1-11(2)14(4)7-5-8-15-9-6-12(10-15)13-3/h11-13H,5-10H2,1-4H3
InChIKeyXVYXCYJEEPRROI-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine
CID 43315586
ethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine
CID 166168128
N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine
CID 103776874
N-methyl-1-(2-propoxyethyl)pyrrolidin-3-amine
CID 106455097
N-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine
CID 168856384
N-methyl-4-(3-methyl-1,4-diazepan-1-yl)-N-propan-2-ylbutan-1-amine
CID 64951139
1-butyl-N-methylpiperidin-3-amine
CID 62534430
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile
CID 115300536
(3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine
CID 167253643
methane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine
CID 167687218
1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone
CID 59289508

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine (CID 106039993) is N-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine is CNC1CCN(CCCN(C)C(C)C)C1.
What is the InChIKey of N-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine?
The InChIKey is XVYXCYJEEPRROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-11(2)14(4)7-5-8-15-9-6-12(10-15)13-3/h11-13H,5-10H2,1-4H3.
What are the key properties of N-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine?
N-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine is sourced from PubChem (CID 106039993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).