2,5-bis[4-(dimethylamino)butyl]aniline

C18H33N3 — CID 19907339

IUPAC2,5-bis[4-(dimethylamino)butyl]aniline
SMILESCN(C)CCCCc1ccc(CCCCN(C)C)c(N)c1
InChIInChI=1S/C18H33N3/c1-20(2)13-7-5-9-16-11-12-17(18(19)15-16)10-6-8-14-21(3)4/h11-12,15H,5-10,13-14,19H2,1-4H3
InChIKeyYGUWLHRGYXBTCH-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.04
Rot. Bonds10

About 2,5-bis[4-(dimethylamino)butyl]aniline

2,5-bis[4-(dimethylamino)butyl]aniline (PubChem CID 19907339) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 2,5-bis[4-(dimethylamino)butyl]aniline.

Molecular Properties

Compound Name2,5-bis[4-(dimethylamino)butyl]aniline
PubChem CID19907339
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name2,5-bis[4-(dimethylamino)butyl]aniline
SMILESCN(C)CCCCc1ccc(CCCCN(C)C)c(N)c1
InChIInChI=1S/C18H33N3/c1-20(2)13-7-5-9-16-11-12-17(18(19)15-16)10-6-8-14-21(3)4/h11-12,15H,5-10,13-14,19H2,1-4H3
InChIKeyYGUWLHRGYXBTCH-UHFFFAOYSA-N
XLogP3.04
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine
CID 53446484
5-ethyl-2-hexylaniline
CID 22065589
5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine
CID 172845275
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557
4-(4-ethynylphenyl)-N,N-dimethylbutan-1-amine
CID 139494263
2,4,6-tris[10-(dimethylamino)decyl]phenol
CID 150884790
N,N-dimethyl-5-(4-methylphenyl)pentan-1-amine;hydrate
CID 173447958
4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine
CID 155593714
2-(3-amino-4-pentylphenyl)acetic acid
CID 123348759
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine
CID 117314930
4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 141112133

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[4-(dimethylamino)butyl]aniline?
The IUPAC name of 2,5-bis[4-(dimethylamino)butyl]aniline (CID 19907339) is 2,5-bis[4-(dimethylamino)butyl]aniline.
What is the SMILES notation for 2,5-bis[4-(dimethylamino)butyl]aniline?
The canonical SMILES for 2,5-bis[4-(dimethylamino)butyl]aniline is CN(C)CCCCc1ccc(CCCCN(C)C)c(N)c1.
What is the InChIKey of 2,5-bis[4-(dimethylamino)butyl]aniline?
The InChIKey is YGUWLHRGYXBTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-20(2)13-7-5-9-16-11-12-17(18(19)15-16)10-6-8-14-21(3)4/h11-12,15H,5-10,13-14,19H2,1-4H3.
What are the key properties of 2,5-bis[4-(dimethylamino)butyl]aniline?
2,5-bis[4-(dimethylamino)butyl]aniline has a molecular weight of 291.48 g/mol, XLogP of 3.04, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[4-(dimethylamino)butyl]aniline is sourced from PubChem (CID 19907339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).