2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine

C12H27N3 — CID 103389396

IUPAC2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine
SMILESCC(CNC(C)CN)CN1CCCCC1
InChIInChI=1S/C12H27N3/c1-11(9-14-12(2)8-13)10-15-6-4-3-5-7-15/h11-12,14H,3-10,13H2,1-2H3
InChIKeyPAQFHMBTPRZRHJ-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.05
Rot. Bonds6

About 2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine

2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine (PubChem CID 103389396) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine
PubChem CID103389396
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine
SMILESCC(CNC(C)CN)CN1CCCCC1
InChIInChI=1S/C12H27N3/c1-11(9-14-12(2)8-13)10-15-6-4-3-5-7-15/h11-12,14H,3-10,13H2,1-2H3
InChIKeyPAQFHMBTPRZRHJ-UHFFFAOYSA-N
XLogP1.05
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethoxypropan-2-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115710179
2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43749022
1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 61499979
2-methyl-N-[1-(1-methylcyclopropyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 54906710
2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 103387444
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
N-(1-cyclopropylpropyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 64918005
N-(2-methyl-3-piperidin-1-ylpropyl)formamide
CID 64992840
5-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pentanamide
CID 82012433
N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80693865
5-methyl-N-(1-piperidin-1-ylpropan-2-yl)hexan-2-amine
CID 43749079
N-butan-2-yl-2-methyl-3-morpholin-4-ylpropan-1-amine
CID 115722394

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine?
The IUPAC name of 2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine (CID 103389396) is 2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine is CC(CNC(C)CN)CN1CCCCC1.
What is the InChIKey of 2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine?
The InChIKey is PAQFHMBTPRZRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-11(9-14-12(2)8-13)10-15-6-4-3-5-7-15/h11-12,14H,3-10,13H2,1-2H3.
What are the key properties of 2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine?
2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine is sourced from PubChem (CID 103389396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).