1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine

C22H39N3O — CID 151335568

IUPAC1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine
SMILESCCCCCCCCCCNc1cccc(NCCN2CCOCC2)c1
InChIInChI=1S/C22H39N3O/c1-2-3-4-5-6-7-8-9-13-23-21-11-10-12-22(20-21)24-14-15-25-16-18-26-19-17-25/h10-12,20,23-24H,2-9,13-19H2,1H3
InChIKeyOJJHZLNHUXWAEE-UHFFFAOYSA-N
MW361.57 g/mol
LogP4.98
Rot. Bonds14

About 1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine

1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine (PubChem CID 151335568) has the molecular formula C22H39N3O and a molecular weight of 361.57 g/mol. Its IUPAC name is 1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine
PubChem CID151335568
Molecular FormulaC22H39N3O
Molecular Weight361.57 g/mol
Exact Mass361.31
IUPAC Name1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine
SMILESCCCCCCCCCCNc1cccc(NCCN2CCOCC2)c1
InChIInChI=1S/C22H39N3O/c1-2-3-4-5-6-7-8-9-13-23-21-11-10-12-22(20-21)24-14-15-25-16-18-26-19-17-25/h10-12,20,23-24H,2-9,13-19H2,1H3
InChIKeyOJJHZLNHUXWAEE-UHFFFAOYSA-N
XLogP4.98
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hexoxy-N-(2-morpholin-4-ylethyl)aniline
CID 54806895
3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline
CID 20619663
N-butyl-3-(morpholin-4-ylmethyl)aniline
CID 174541370
1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209
3-(2-morpholin-4-ylethylamino)benzonitrile
CID 28581021
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28583324
3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline
CID 62575733
3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 39420305
5-iodo-1-N,3-N-bis(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 153298189
N-(2-morpholin-4-ylethyl)-1H-indol-6-amine
CID 69376753
3-N-octadecylbenzene-1,3-diamine
CID 154090035

Frequently Asked Questions

What is the IUPAC name of 1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine?
The IUPAC name of 1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine (CID 151335568) is 1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine?
The canonical SMILES for 1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine is CCCCCCCCCCNc1cccc(NCCN2CCOCC2)c1.
What is the InChIKey of 1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine?
The InChIKey is OJJHZLNHUXWAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O/c1-2-3-4-5-6-7-8-9-13-23-21-11-10-12-22(20-21)24-14-15-25-16-18-26-19-17-25/h10-12,20,23-24H,2-9,13-19H2,1H3.
What are the key properties of 1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine?
1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine has a molecular weight of 361.57 g/mol, XLogP of 4.98, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine is sourced from PubChem (CID 151335568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).