N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine

C13H29N3 — CID 79319228

IUPACN'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CN(C)CC1CCCN1C
InChIInChI=1S/C13H29N3/c1-11(2)12(8-14)9-15(3)10-13-6-5-7-16(13)4/h11-13H,5-10,14H2,1-4H3
InChIKeyBSVLDLGHKVUSAD-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.24
Rot. Bonds6

About N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine

N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 79319228) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID79319228
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CN(C)CC1CCCN1C
InChIInChI=1S/C13H29N3/c1-11(2)12(8-14)9-15(3)10-13-6-5-7-16(13)4/h11-13H,5-10,14H2,1-4H3
InChIKeyBSVLDLGHKVUSAD-UHFFFAOYSA-N
XLogP1.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 103935244
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine
CID 104682305
2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile
CID 79314144
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 79314288
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol
CID 79315558
2-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butan-1-amine
CID 79319460
1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 79314199
3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79314030
N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine
CID 59904541
1-(4-fluorophenyl)-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 107521653
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropane-1,2-diamine
CID 79318693
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine
CID 79319044

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine (CID 79319228) is N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CN(C)CC1CCCN1C.
What is the InChIKey of N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is BSVLDLGHKVUSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-11(2)12(8-14)9-15(3)10-13-6-5-7-16(13)4/h11-13H,5-10,14H2,1-4H3.
What are the key properties of N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine?
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 79319228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).