1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine

C13H27N3 — CID 62546657

IUPAC1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
SMILESCC(CNC1CC1)N(C)C1CCCN(C)C1
InChIInChI=1S/C13H27N3/c1-11(9-14-12-6-7-12)16(3)13-5-4-8-15(2)10-13/h11-14H,4-10H2,1-3H3
InChIKeyDWJNYHDUBHGJHR-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.15
Rot. Bonds5

About 1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine

1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine (PubChem CID 62546657) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
PubChem CID62546657
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
SMILESCC(CNC1CC1)N(C)C1CCCN(C)C1
InChIInChI=1S/C13H27N3/c1-11(9-14-12-6-7-12)16(3)13-5-4-8-15(2)10-13/h11-14H,4-10H2,1-3H3
InChIKeyDWJNYHDUBHGJHR-UHFFFAOYSA-N
XLogP1.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine
CID 62425020
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 62569013
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
CID 55087459
3-N-methyl-3-N-(1-methylpiperidin-3-yl)-1-N-propan-2-ylbutane-1,3-diamine
CID 62545786
2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62900097
1-methyl-N-(2-methylbutyl)piperidin-3-amine
CID 61211786
N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-3-amine
CID 80998463
N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62561053
1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine
CID 82754795
N,1-dimethyl-N-[[4-(methylamino)cyclohexyl]methyl]piperidin-3-amine
CID 115213642
1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine
CID 62567826
N,N'-dimethyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 55084951

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine (CID 62546657) is 1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine is CC(CNC1CC1)N(C)C1CCCN(C)C1.
What is the InChIKey of 1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine?
The InChIKey is DWJNYHDUBHGJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11(9-14-12-6-7-12)16(3)13-5-4-8-15(2)10-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine?
1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine has a molecular weight of 225.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine is sourced from PubChem (CID 62546657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).