N,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine

C10H23N3 — CID 82406005

IUPACN,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCN1CCC(C(CN)N(C)C)CC1
InChIInChI=1S/C10H23N3/c1-12(2)10(8-11)9-4-6-13(3)7-5-9/h9-10H,4-8,11H2,1-3H3
InChIKeyWAXUFHZSYJKRSG-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.22
Rot. Bonds3

About N,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine

N,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 82406005) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID82406005
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC NameN,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCN1CCC(C(CN)N(C)C)CC1
InChIInChI=1S/C10H23N3/c1-12(2)10(8-11)9-4-6-13(3)7-5-9/h9-10H,4-8,11H2,1-3H3
InChIKeyWAXUFHZSYJKRSG-UHFFFAOYSA-N
XLogP0.22
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63233100
N-methyl-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386119
N',N'-dimethyl-2-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 117239062
1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63276195
2-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]butane-1,4-diamine
CID 81079802
2-(dimethylamino)-2-(1-methylpyrrolidin-3-yl)ethanol
CID 116857325
2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 116907508
N',N'-dimethyl-2-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237610
1-methoxy-N,N-dimethyl-1-(1-methylpiperidin-4-yl)methanamine
CID 116914570
N,N-dimethyl-1-pyrrolidin-3-ylethane-1,2-diamine
CID 84763928
2-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine
CID 117239456
1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206854

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine (CID 82406005) is N,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine is CN1CCC(C(CN)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is WAXUFHZSYJKRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-12(2)10(8-11)9-4-6-13(3)7-5-9/h9-10H,4-8,11H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
N,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 82406005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).