N,N-dibutyl-4-(butylaminomethyl)aniline

C19H34N2 — CID 134517429

IUPACN,N-dibutyl-4-(butylaminomethyl)aniline
SMILESCCCCNCc1ccc(N(CCCC)CCCC)cc1
InChIInChI=1S/C19H34N2/c1-4-7-14-20-17-18-10-12-19(13-11-18)21(15-8-5-2)16-9-6-3/h10-13,20H,4-9,14-17H2,1-3H3
InChIKeyPBJYJLBGUHKWLC-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.98
Rot. Bonds12

About N,N-dibutyl-4-(butylaminomethyl)aniline

N,N-dibutyl-4-(butylaminomethyl)aniline (PubChem CID 134517429) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N,N-dibutyl-4-(butylaminomethyl)aniline.

Molecular Properties

Compound NameN,N-dibutyl-4-(butylaminomethyl)aniline
PubChem CID134517429
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN,N-dibutyl-4-(butylaminomethyl)aniline
SMILESCCCCNCc1ccc(N(CCCC)CCCC)cc1
InChIInChI=1S/C19H34N2/c1-4-7-14-20-17-18-10-12-19(13-11-18)21(15-8-5-2)16-9-6-3/h10-13,20H,4-9,14-17H2,1-3H3
InChIKeyPBJYJLBGUHKWLC-UHFFFAOYSA-N
XLogP4.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-[(hexylamino)methyl]aniline;hydrochloride
CID 17293948
N,N-diethyl-4-[(heptylamino)methyl]aniline;hydrochloride
CID 17293965
N,N-dibutyl-4-[[4-(dibutylamino)phenyl]methyl]aniline
CID 67427433
N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride
CID 17290940
N,N-ditert-butyl-4-[(hexylamino)methyl]aniline
CID 54404643
N-butyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280719
2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol
CID 54879735
azane;N-benzylbutan-1-amine
CID 175388745
N,4-dibutyl-N-octylaniline
CID 175203597
4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline
CID 4719418
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
N-[[3,5-bis(butylaminomethyl)phenyl]methyl]butan-1-amine
CID 10592779

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-(butylaminomethyl)aniline?
The IUPAC name of N,N-dibutyl-4-(butylaminomethyl)aniline (CID 134517429) is N,N-dibutyl-4-(butylaminomethyl)aniline.
What is the SMILES notation for N,N-dibutyl-4-(butylaminomethyl)aniline?
The canonical SMILES for N,N-dibutyl-4-(butylaminomethyl)aniline is CCCCNCc1ccc(N(CCCC)CCCC)cc1.
What is the InChIKey of N,N-dibutyl-4-(butylaminomethyl)aniline?
The InChIKey is PBJYJLBGUHKWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-4-7-14-20-17-18-10-12-19(13-11-18)21(15-8-5-2)16-9-6-3/h10-13,20H,4-9,14-17H2,1-3H3.
What are the key properties of N,N-dibutyl-4-(butylaminomethyl)aniline?
N,N-dibutyl-4-(butylaminomethyl)aniline has a molecular weight of 290.50 g/mol, XLogP of 4.98, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-(butylaminomethyl)aniline is sourced from PubChem (CID 134517429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).