N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine

C13H29N3 — CID 104682305

IUPACN,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine
SMILESCC(CCCN)CN(C)CC1CCCN1C
InChIInChI=1S/C13H29N3/c1-12(6-4-8-14)10-15(2)11-13-7-5-9-16(13)3/h12-13H,4-11,14H2,1-3H3
InChIKeyHMESWMOUBXKJCY-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds7

About N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine

N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine (PubChem CID 104682305) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine
PubChem CID104682305
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine
SMILESCC(CCCN)CN(C)CC1CCCN1C
InChIInChI=1S/C13H29N3/c1-12(6-4-8-14)10-15(2)11-13-7-5-9-16(13)3/h12-13H,4-11,14H2,1-3H3
InChIKeyHMESWMOUBXKJCY-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.39
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'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 79319228
2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile
CID 79314144
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol
CID 79315558
N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pentane-1,5-diamine
CID 104682229
2-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butan-1-amine
CID 79319460
3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide
CID 79313720
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 79314288
1-(1-methoxypropan-2-yloxy)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 106992139
2-N,2,4-trimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,2-diamine
CID 79303527
5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
CID 79314072
N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine
CID 59904541

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine?
The IUPAC name of N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine (CID 104682305) is N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine.
What is the SMILES notation for N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine?
The canonical SMILES for N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine is CC(CCCN)CN(C)CC1CCCN1C.
What is the InChIKey of N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine?
The InChIKey is HMESWMOUBXKJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(6-4-8-14)10-15(2)11-13-7-5-9-16(13)3/h12-13H,4-11,14H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine?
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine is sourced from PubChem (CID 104682305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).