N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine

C18H31N3 — CID 62258429

IUPACN-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
SMILESCCC(CC)(CNC1CC1)CN(C)CCc1ccncc1
InChIInChI=1S/C18H31N3/c1-4-18(5-2,14-20-17-6-7-17)15-21(3)13-10-16-8-11-19-12-9-16/h8-9,11-12,17,20H,4-7,10,13-15H2,1-3H3
InChIKeyYAEFPPFUHYDKSN-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.11
Rot. Bonds10

About N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine

N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine (PubChem CID 62258429) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
PubChem CID62258429
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
SMILESCCC(CC)(CNC1CC1)CN(C)CCc1ccncc1
InChIInChI=1S/C18H31N3/c1-4-18(5-2,14-20-17-6-7-17)15-21(3)13-10-16-8-11-19-12-9-16/h8-9,11-12,17,20H,4-7,10,13-15H2,1-3H3
InChIKeyYAEFPPFUHYDKSN-UHFFFAOYSA-N
XLogP3.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 62427612
2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 79812656
N-[[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62426370
N-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine
CID 63494824
N-(3-pyridin-4-ylpropyl)cyclopropanamine
CID 62549515
1-N-cyclopentyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)propane-1,2-diamine
CID 62568294
N-[[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62426181
N-cyclohexyl-2-[methyl(2-pyridin-4-ylethyl)amino]acetamide
CID 108993655
N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115207125
3-cyclopropyl-1-methyl-1-(2-pyridin-4-ylethyl)thiourea
CID 116507582
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
CID 63234674
N-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine
CID 63494831

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine (CID 62258429) is N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine is CCC(CC)(CNC1CC1)CN(C)CCc1ccncc1.
What is the InChIKey of N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine?
The InChIKey is YAEFPPFUHYDKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-18(5-2,14-20-17-6-7-17)15-21(3)13-10-16-8-11-19-12-9-16/h8-9,11-12,17,20H,4-7,10,13-15H2,1-3H3.
What are the key properties of N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine?
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine has a molecular weight of 289.47 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 62258429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).