N'-(1-methylpiperidin-3-yl)-N'-(2-methylpropyl)ethane-1,2-diamine

C12H27N3 — CID 83821361

IUPACN'-(1-methylpiperidin-3-yl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN)C1CCCN(C)C1
InChIInChI=1S/C12H27N3/c1-11(2)9-15(8-6-13)12-5-4-7-14(3)10-12/h11-12H,4-10,13H2,1-3H3
InChIKeyYDSXQMRCHNVHSR-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.00
Rot. Bonds5

About N'-(1-methylpiperidin-3-yl)-N'-(2-methylpropyl)ethane-1,2-diamine

N'-(1-methylpiperidin-3-yl)-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 83821361) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N'-(1-methylpiperidin-3-yl)-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-methylpiperidin-3-yl)-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID83821361
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN'-(1-methylpiperidin-3-yl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN)C1CCCN(C)C1
InChIInChI=1S/C12H27N3/c1-11(2)9-15(8-6-13)12-5-4-7-14(3)10-12/h11-12H,4-10,13H2,1-3H3
InChIKeyYDSXQMRCHNVHSR-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
N'-(2-methylpropyl)-N'-(thietan-3-yl)ethane-1,2-diamine
CID 83817833
4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol
CID 117039168
2-[2-methylpropyl-(1-methylpyrrolidin-3-yl)amino]acetic acid
CID 65063911
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine
CID 62547640
N'-methyl-N-(5-methylhexan-2-yl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62560698
1-[2-aminoethyl(cyclohexyl)amino]propan-2-ol
CID 65279530
2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]ethanol
CID 111105365
2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]ethanol
CID 66565655
N'-cyclopropyl-N'-(4-methylpentyl)ethane-1,2-diamine
CID 83157183
(3R)-N-cyclobutyl-N-(2-fluoroethyl)-1-methylpyrrolidin-3-amine
CID 167503835
N'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81080018

Frequently Asked Questions

What is the IUPAC name of N'-(1-methylpiperidin-3-yl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-(1-methylpiperidin-3-yl)-N'-(2-methylpropyl)ethane-1,2-diamine (CID 83821361) is N'-(1-methylpiperidin-3-yl)-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-methylpiperidin-3-yl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-methylpiperidin-3-yl)-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCN)C1CCCN(C)C1.
What is the InChIKey of N'-(1-methylpiperidin-3-yl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is YDSXQMRCHNVHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-11(2)9-15(8-6-13)12-5-4-7-14(3)10-12/h11-12H,4-10,13H2,1-3H3.
What are the key properties of N'-(1-methylpiperidin-3-yl)-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-(1-methylpiperidin-3-yl)-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methylpiperidin-3-yl)-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 83821361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).