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

C18H23N3 — CID 62433088

IUPACN'-cyclopropyl-N-methyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1ccncc1)C(CNC1CC1)c1ccccc1
InChIInChI=1S/C18H23N3/c1-21(14-15-9-11-19-12-10-15)18(13-20-17-7-8-17)16-5-3-2-4-6-16/h2-6,9-12,17-18,20H,7-8,13-14H2,1H3
InChIKeyLRLGHUJOXBPJOD-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.01
Rot. Bonds7

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

N'-cyclopropyl-N-methyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 62433088) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N'-cyclopropyl-N-methyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-methyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID62433088
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN'-cyclopropyl-N-methyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1ccncc1)C(CNC1CC1)c1ccccc1
InChIInChI=1S/C18H23N3/c1-21(14-15-9-11-19-12-10-15)18(13-20-17-7-8-17)16-5-3-2-4-6-16/h2-6,9-12,17-18,20H,7-8,13-14H2,1H3
InChIKeyLRLGHUJOXBPJOD-UHFFFAOYSA-N
XLogP3.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-methyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-methyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 62433088) is N'-cyclopropyl-N-methyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-methyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-methyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is CN(Cc1ccncc1)C(CNC1CC1)c1ccccc1.
What is the InChIKey of N'-cyclopropyl-N-methyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is LRLGHUJOXBPJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-21(14-15-9-11-19-12-10-15)18(13-20-17-7-8-17)16-5-3-2-4-6-16/h2-6,9-12,17-18,20H,7-8,13-14H2,1H3.
What are the key properties of N'-cyclopropyl-N-methyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
N'-cyclopropyl-N-methyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 281.40 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-methyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62433088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).