1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine

C13H27N3 — CID 62659433

IUPAC1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
SMILESCN1CCCC(CNCC2CCN(C)C2)C1
InChIInChI=1S/C13H27N3/c1-15-6-3-4-12(10-15)8-14-9-13-5-7-16(2)11-13/h12-14H,3-11H2,1-2H3
InChIKeySNDCRCCLIHNCTL-UHFFFAOYSA-N
MW225.38 g/mol
LogP0.87
Rot. Bonds4

About 1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine

1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine (PubChem CID 62659433) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
PubChem CID62659433
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
SMILESCN1CCCC(CNCC2CCN(C)C2)C1
InChIInChI=1S/C13H27N3/c1-15-6-3-4-12(10-15)8-14-9-13-5-7-16(2)11-13/h12-14H,3-11H2,1-2H3
InChIKeySNDCRCCLIHNCTL-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1-methylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 64929004
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
(E)-N-[(1-methylpiperidin-3-yl)methyl]but-2-en-1-amine
CID 107898888
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
CID 115215684
N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 82836649
2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79612545
N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208872
N-[(1-methylpiperidin-3-yl)methyl]pent-3-yn-1-amine
CID 104806624
2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol
CID 106172829
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
N-[2-methyl-1-[(1-methylpiperidin-3-yl)methylamino]propan-2-yl]methanesulfonamide
CID 63864960
(2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol
CID 106931881

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine?
The IUPAC name of 1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine (CID 62659433) is 1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine is CN1CCCC(CNCC2CCN(C)C2)C1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine?
The InChIKey is SNDCRCCLIHNCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-15-6-3-4-12(10-15)8-14-9-13-5-7-16(2)11-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine?
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine has a molecular weight of 225.38 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine is sourced from PubChem (CID 62659433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).