1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine

C13H29N3 — CID 62658319

IUPAC1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine
SMILESCC(CCN(C)C)NCC1CCCN(C)C1
InChIInChI=1S/C13H29N3/c1-12(7-9-15(2)3)14-10-13-6-5-8-16(4)11-13/h12-14H,5-11H2,1-4H3
InChIKeyJPPIYKCVLIJTJX-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds6

About 1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine

1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine (PubChem CID 62658319) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine
PubChem CID62658319
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine
SMILESCC(CCN(C)C)NCC1CCCN(C)C1
InChIInChI=1S/C13H29N3/c1-12(7-9-15(2)3)14-10-13-6-5-8-16(4)11-13/h12-14H,5-11H2,1-4H3
InChIKeyJPPIYKCVLIJTJX-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine
CID 97231847
N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine
CID 62657185
N-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79538653
1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
CID 55099655
2-[(1-methylpyrrolidin-3-yl)methylamino]propan-1-ol
CID 130204020
N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethane-1,2-diamine
CID 62656324
1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
CID 114829632
1-N-methyl-1-N-(1-methylpiperidin-3-yl)-3-N-propylbutane-1,3-diamine
CID 62546063
(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574
N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]propan-1-amine
CID 62512571
1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
CID 104872007
N-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]propan-2-amine
CID 117044255

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine (CID 62658319) is 1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine is CC(CCN(C)C)NCC1CCCN(C)C1.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine?
The InChIKey is JPPIYKCVLIJTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(7-9-15(2)3)14-10-13-6-5-8-16(4)11-13/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine?
1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine is sourced from PubChem (CID 62658319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).