1-cyclopropyl-N'-ethyl-N-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine

C14H23N3 — CID 63914966

IUPAC1-cyclopropyl-N'-ethyl-N-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCN(Cc1ccncc1)CC(NC)C1CC1
InChIInChI=1S/C14H23N3/c1-3-17(10-12-6-8-16-9-7-12)11-14(15-2)13-4-5-13/h6-9,13-15H,3-5,10-11H2,1-2H3
InChIKeySDMLRNBDISRWNZ-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.90
Rot. Bonds7

About 1-cyclopropyl-N'-ethyl-N-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine

1-cyclopropyl-N'-ethyl-N-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 63914966) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-cyclopropyl-N'-ethyl-N-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N'-ethyl-N-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID63914966
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-cyclopropyl-N'-ethyl-N-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCN(Cc1ccncc1)CC(NC)C1CC1
InChIInChI=1S/C14H23N3/c1-3-17(10-12-6-8-16-9-7-12)11-14(15-2)13-4-5-13/h6-9,13-15H,3-5,10-11H2,1-2H3
InChIKeySDMLRNBDISRWNZ-UHFFFAOYSA-N
XLogP1.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 104744827
1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 62038864
N'-[2-cyclopropyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992594
1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 112561407
1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 54948462
N-ethyl-2-methyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62429709
1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 54948256
1-cyclopropyl-N-ethyl-2-pyridin-4-ylethanamine
CID 63355352
N'-ethyl-2-propyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 65233301
1-N-ethyl-4-methyl-1-N-(pyridin-4-ylmethyl)pentane-1,2-diamine
CID 54948017
N-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62615670
1-(2,5-difluorophenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 107520253

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-ethyl-N-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N'-ethyl-N-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 63914966) is 1-cyclopropyl-N'-ethyl-N-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N'-ethyl-N-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N'-ethyl-N-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine is CCN(Cc1ccncc1)CC(NC)C1CC1.
What is the InChIKey of 1-cyclopropyl-N'-ethyl-N-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is SDMLRNBDISRWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-17(10-12-6-8-16-9-7-12)11-14(15-2)13-4-5-13/h6-9,13-15H,3-5,10-11H2,1-2H3.
What are the key properties of 1-cyclopropyl-N'-ethyl-N-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine?
1-cyclopropyl-N'-ethyl-N-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 233.36 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N'-ethyl-N-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 63914966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).