1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine

C13H29N3 — CID 62044225

IUPAC1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
SMILESCCCC(CN(C)C1CCN(C)CC1)NC
InChIInChI=1S/C13H29N3/c1-5-6-12(14-2)11-16(4)13-7-9-15(3)10-8-13/h12-14H,5-11H2,1-4H3
InChIKeyCOEUDTXQGIAUQR-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds6

About 1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine

1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine (PubChem CID 62044225) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
PubChem CID62044225
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
SMILESCCCC(CN(C)C1CCN(C)CC1)NC
InChIInChI=1S/C13H29N3/c1-5-6-12(14-2)11-16(4)13-7-9-15(3)10-8-13/h12-14H,5-11H2,1-4H3
InChIKeyCOEUDTXQGIAUQR-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744435
3-methoxy-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-2-N-propylpropane-1,2-diamine
CID 107505276
(2S)-1-N-methyl-1-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 7138359
1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine
CID 62044232
1-N-(cyclopentylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 63631754
N-heptan-4-yl-1-methylpiperidin-4-amine
CID 43373353
N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine
CID 142253638
1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol
CID 43165778
N-cyclopropyl-N',2-dimethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62425566
1-N-cyclopropyl-2-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 62044049
ethane;4-ethyl-1-methylpiperidine;N-methylheptan-3-amine
CID 143305969
(2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
CID 28598739

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine (CID 62044225) is 1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine is CCCC(CN(C)C1CCN(C)CC1)NC.
What is the InChIKey of 1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine?
The InChIKey is COEUDTXQGIAUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-6-12(14-2)11-16(4)13-7-9-15(3)10-8-13/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine?
1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine is sourced from PubChem (CID 62044225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).