1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine

C20H31N3 — CID 170239569

IUPAC1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine
SMILESCCc1ccc2c(NC(C)CCCN(CC)CC)ccnc2c1
InChIInChI=1S/C20H31N3/c1-5-17-10-11-18-19(12-13-21-20(18)15-17)22-16(4)9-8-14-23(6-2)7-3/h10-13,15-16H,5-9,14H2,1-4H3,(H,21,22)
InChIKeyOJKDESQAUQJNCI-UHFFFAOYSA-N
MW313.49 g/mol
LogP4.72
Rot. Bonds9

About 1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine

1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine (PubChem CID 170239569) has the molecular formula C20H31N3 and a molecular weight of 313.49 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine
PubChem CID170239569
Molecular FormulaC20H31N3
Molecular Weight313.49 g/mol
Exact Mass313.25
IUPAC Name1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine
SMILESCCc1ccc2c(NC(C)CCCN(CC)CC)ccnc2c1
InChIInChI=1S/C20H31N3/c1-5-17-10-11-18-19(12-13-21-20(18)15-17)22-16(4)9-8-14-23(6-2)7-3/h10-13,15-16H,5-9,14H2,1-4H3,(H,21,22)
InChIKeyOJKDESQAUQJNCI-UHFFFAOYSA-N
XLogP4.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(7-bromoquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid
CID 21150567
4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine
CID 178050529
1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine
CID 153353135
4-N-[(2S)-5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine
CID 129362155
2-[[(4S)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-ethylamino]-1,1,2,2-tetradeuterioethanol
CID 171394724
butanedioic acid;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 69171566
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118
CID 134081808
CID 134081808
4-N-(7-chloro-3-tritioquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 10087451
2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol;phosphoric acid
CID 71586887
(4R)-4-N-(6,8-dichloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 92856046
4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-[2-(prop-1-en-2-ylamino)oxyethyl]pentane-1,4-diamine
CID 146188349

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine (CID 170239569) is 1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine is CCc1ccc2c(NC(C)CCCN(CC)CC)ccnc2c1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine?
The InChIKey is OJKDESQAUQJNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3/c1-5-17-10-11-18-19(12-13-21-20(18)15-17)22-16(4)9-8-14-23(6-2)7-3/h10-13,15-16H,5-9,14H2,1-4H3,(H,21,22).
What are the key properties of 1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine has a molecular weight of 313.49 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine is sourced from PubChem (CID 170239569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).