1-(1-methylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine

C11H25N3 — CID 116935127

IUPAC1-(1-methylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCC(N)C1CCN(C)CC1
InChIInChI=1S/C11H25N3/c1-9(2)13-8-11(12)10-4-6-14(3)7-5-10/h9-11,13H,4-8,12H2,1-3H3
InChIKeyRYVLUYUHFMDOID-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.65
Rot. Bonds4

About 1-(1-methylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine

1-(1-methylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 116935127) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID116935127
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name1-(1-methylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCC(N)C1CCN(C)CC1
InChIInChI=1S/C11H25N3/c1-9(2)13-8-11(12)10-4-6-14(3)7-5-10/h9-11,13H,4-8,12H2,1-3H3
InChIKeyRYVLUYUHFMDOID-UHFFFAOYSA-N
XLogP0.65
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-1-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 116933024
N-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103503231
2-(azepan-1-yl)-1-(1-methylpiperidin-4-yl)ethanamine
CID 117238621
N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237125
N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237112
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 43307393
N'-methyl-1-(1-methylpiperidin-4-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945942
2-N,3-dimethyl-2-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylbutane-1,2-diamine
CID 62424090
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993042
5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one
CID 116940794
N'-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 60890086
2-N,3-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
CID 55174036

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine (CID 116935127) is 1-(1-methylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine is CC(C)NCC(N)C1CCN(C)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is RYVLUYUHFMDOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-9(2)13-8-11(12)10-4-6-14(3)7-5-10/h9-11,13H,4-8,12H2,1-3H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine?
1-(1-methylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 116935127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).