(2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine

C13H29N3 — CID 28598739

IUPAC(2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
SMILESCC[C@H](C)[C@@H](N)CN(C)C1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-5-11(2)13(14)10-16(4)12-6-8-15(3)9-7-12/h11-13H,5-10,14H2,1-4H3/t11-,13-/m0/s1
InChIKeyWOLISEURCOIINU-AAEUAGOBSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds5

About (2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine

(2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine (PubChem CID 28598739) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is (2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name(2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
PubChem CID28598739
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name(2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
SMILESCC[C@H](C)[C@@H](N)CN(C)C1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-5-11(2)13(14)10-16(4)12-6-8-15(3)9-7-12/h11-13H,5-10,14H2,1-4H3/t11-,13-/m0/s1
InChIKeyWOLISEURCOIINU-AAEUAGOBSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

(2S)-1-N-methyl-1-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 7138359
1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744436
ethyl 3-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoate
CID 82776528
1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine
CID 60985406
2-methoxy-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 106114460
2-methylbutane;N,N,1-trimethylpiperidin-4-amine
CID 142525400
(1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine
CID 30113844
3-methoxy-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-2-N-propylpropane-1,2-diamine
CID 107505276
1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol
CID 43165778
3-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 82776291
N-cyclopropyl-N',2-dimethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62425566
1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
CID 62044225

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine?
The IUPAC name of (2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine (CID 28598739) is (2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine.
What is the SMILES notation for (2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine?
The canonical SMILES for (2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine is CC[C@H](C)[C@@H](N)CN(C)C1CCN(C)CC1.
What is the InChIKey of (2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine?
The InChIKey is WOLISEURCOIINU-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-11(2)13(14)10-16(4)12-6-8-15(3)9-7-12/h11-13H,5-10,14H2,1-4H3/t11-,13-/m0/s1.
What are the key properties of (2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine?
(2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine is sourced from PubChem (CID 28598739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).