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

C13H21N3 — CID 61450542

IUPAC1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCN(Cc1ccncc1)C(CN)C1CC1
InChIInChI=1S/C13H21N3/c1-2-16(13(9-14)12-3-4-12)10-11-5-7-15-8-6-11/h5-8,12-13H,2-4,9-10,14H2,1H3
InChIKeyPWIKBQSYRJYJAX-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.64
Rot. Bonds6

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

1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 61450542) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID61450542
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCN(Cc1ccncc1)C(CN)C1CC1
InChIInChI=1S/C13H21N3/c1-2-16(13(9-14)12-3-4-12)10-11-5-7-15-8-6-11/h5-8,12-13H,2-4,9-10,14H2,1H3
InChIKeyPWIKBQSYRJYJAX-UHFFFAOYSA-N
XLogP1.64
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 55034763
1-cyclopropyl-N,N-diethylethane-1,2-diamine
CID 43654980
N,N-dibenzyl-1-cyclopropylethane-1,2-diamine
CID 43655032
2-N-ethyl-3,3,3-trifluoro-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 54947943
N-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450895
N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450546
1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55034715
N,N-dibenzyl-1-cyclopentylethane-1,2-diamine
CID 130158926
N'-ethyl-2-propyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 65233301
1-cyclopropyl-N-ethyl-N-propylethane-1,2-diamine
CID 43655040
2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 112709139
1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine
CID 55074275

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 61450542) is 1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is CCN(Cc1ccncc1)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is PWIKBQSYRJYJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-16(13(9-14)12-3-4-12)10-11-5-7-15-8-6-11/h5-8,12-13H,2-4,9-10,14H2,1H3.
What are the key properties of 1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 219.33 g/mol, XLogP of 1.64, 6 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-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61450542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).