(4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine

C18H27N3 — CID 36691119

IUPAC(4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine
SMILESCCN(CC)CCC[C@H](C)Nc1ccc2ccccc2n1
InChIInChI=1S/C18H27N3/c1-4-21(5-2)14-8-9-15(3)19-18-13-12-16-10-6-7-11-17(16)20-18/h6-7,10-13,15H,4-5,8-9,14H2,1-3H3,(H,19,20)/t15-/m0/s1
InChIKeyGEQQWZVVWXHOCJ-HNNXBMFYSA-N
MW285.44 g/mol
LogP4.16
Rot. Bonds8

About (4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine

(4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine (PubChem CID 36691119) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is (4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine.

Molecular Properties

Compound Name(4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine
PubChem CID36691119
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name(4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine
SMILESCCN(CC)CCC[C@H](C)Nc1ccc2ccccc2n1
InChIInChI=1S/C18H27N3/c1-4-21(5-2)14-8-9-15(3)19-18-13-12-16-10-6-7-11-17(16)20-18/h6-7,10-13,15H,4-5,8-9,14H2,1-3H3,(H,19,20)/t15-/m0/s1
InChIKeyGEQQWZVVWXHOCJ-HNNXBMFYSA-N
XLogP4.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine
CID 40545835
4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64831242
(4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 129412307
N-(4-methylsulfinylbutan-2-yl)quinolin-2-amine
CID 113260886
1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine
CID 43095595
N',N'-diethyl-N-quinolin-2-ylethane-1,2-diamine
CID 29034391
1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine
CID 112810281
2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
CID 43115432
4-N-quinolin-2-ylpentane-2,4-diamine
CID 113376889
N-(1-pyrazol-1-ylpropan-2-yl)quinolin-2-amine
CID 61462720
N-(3-ethylpentan-2-yl)quinolin-2-amine
CID 55260765
4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 23422070

Frequently Asked Questions

What is the IUPAC name of (4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine?
The IUPAC name of (4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine (CID 36691119) is (4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine.
What is the SMILES notation for (4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine?
The canonical SMILES for (4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine is CCN(CC)CCC[C@H](C)Nc1ccc2ccccc2n1.
What is the InChIKey of (4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine?
The InChIKey is GEQQWZVVWXHOCJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-21(5-2)14-8-9-15(3)19-18-13-12-16-10-6-7-11-17(16)20-18/h6-7,10-13,15H,4-5,8-9,14H2,1-3H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine?
(4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine has a molecular weight of 285.44 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine is sourced from PubChem (CID 36691119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).