1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine

C13H27N3 — CID 62425020

IUPAC1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine
SMILESCC(CNC1CC1)N(C)C1CCN(C)CC1
InChIInChI=1S/C13H27N3/c1-11(10-14-12-4-5-12)16(3)13-6-8-15(2)9-7-13/h11-14H,4-10H2,1-3H3
InChIKeyQVLVDMYLFHLPNL-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.15
Rot. Bonds5

About 1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine

1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine (PubChem CID 62425020) 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-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine
PubChem CID62425020
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine
SMILESCC(CNC1CC1)N(C)C1CCN(C)CC1
InChIInChI=1S/C13H27N3/c1-11(10-14-12-4-5-12)16(3)13-6-8-15(2)9-7-13/h11-14H,4-10H2,1-3H3
InChIKeyQVLVDMYLFHLPNL-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-3-yl)propane-1,2-diamine
CID 62546657
N-cyclopropyl-N',2-dimethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62425566
N,1-dimethyl-N-pentan-2-ylpiperidin-4-amine
CID 142253638
2-N-cyclopropyl-2-N-methyl-1-N-(3-methylcyclobutyl)propane-1,2-diamine
CID 104859774
1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine
CID 62567826
1-N-cyclopropyl-2-N-methyl-2-N-(oxolan-3-yl)propane-1,2-diamine
CID 82754795
2-(cyclopropylamino)-2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol
CID 64798033
4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 64718593
2-N-cyclopropyl-2-N-methyl-1-N-(oxolan-3-yl)propane-1,2-diamine
CID 115689098
2-N-cyclopropyl-1-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-N-methylpropane-1,2-diamine
CID 114132443
2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylbutane-1,2-diamine
CID 62424090
2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine (CID 62425020) is 1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine is CC(CNC1CC1)N(C)C1CCN(C)CC1.
What is the InChIKey of 1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine?
The InChIKey is QVLVDMYLFHLPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11(10-14-12-4-5-12)16(3)13-6-8-15(2)9-7-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine?
1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-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-4-yl)propane-1,2-diamine is sourced from PubChem (CID 62425020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).