2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine

C18H27N3 — CID 62008003

IUPAC2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine
SMILESCCN(Cc1ccc2ncccc2c1)C(CC)(CC)CN
InChIInChI=1S/C18H27N3/c1-4-18(5-2,14-19)21(6-3)13-15-9-10-17-16(12-15)8-7-11-20-17/h7-12H,4-6,13-14,19H2,1-3H3
InChIKeyMSSCQAODDDEVNB-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.57
Rot. Bonds7

About 2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine

2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine (PubChem CID 62008003) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine
PubChem CID62008003
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine
SMILESCCN(Cc1ccc2ncccc2c1)C(CC)(CC)CN
InChIInChI=1S/C18H27N3/c1-4-18(5-2,14-19)21(6-3)13-15-9-10-17-16(12-15)8-7-11-20-17/h7-12H,4-6,13-14,19H2,1-3H3
InChIKeyMSSCQAODDDEVNB-UHFFFAOYSA-N
XLogP3.57
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-2,2-dimethyl-N'-(quinolin-6-ylmethyl)propane-1,3-diamine
CID 79660851
3-N-ethyl-3-N-(quinolin-6-ylmethyl)benzene-1,3-diamine
CID 63229505
2-[tert-butyl(quinolin-6-ylmethyl)amino]acetic acid
CID 79268844
3,3-dimethyl-4-quinolin-6-ylbutan-1-amine
CID 116997321
4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline
CID 43458332
3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 113469085
1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine
CID 104555130
2-N,2-diethyl-2-N-[(3-fluoro-4-methoxyphenyl)methyl]butane-1,2-diamine
CID 62008398
3-(quinolin-6-ylmethoxymethyl)pentan-3-amine
CID 64571432
N'-hydroxy-3-[methyl(quinolin-6-ylmethyl)amino]propanimidamide
CID 43209669
1-[methyl(quinolin-6-ylmethyl)amino]propan-2-ol
CID 62335047
ethyl(quinolin-6-ylmethyl)phosphane
CID 142150955

Frequently Asked Questions

What is the IUPAC name of 2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine?
The IUPAC name of 2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine (CID 62008003) is 2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine is CCN(Cc1ccc2ncccc2c1)C(CC)(CC)CN.
What is the InChIKey of 2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine?
The InChIKey is MSSCQAODDDEVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-18(5-2,14-19)21(6-3)13-15-9-10-17-16(12-15)8-7-11-20-17/h7-12H,4-6,13-14,19H2,1-3H3.
What are the key properties of 2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine?
2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine has a molecular weight of 285.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-diethyl-2-N-(quinolin-6-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 62008003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).