N-(4-butylcyclohexa-1,3-dien-1-yl)aniline

C16H21N — CID 143215928

IUPACN-(4-butylcyclohexa-1,3-dien-1-yl)aniline
SMILESCCCCC1=CC=C(Nc2ccccc2)CC1
InChIInChI=1S/C16H21N/c1-2-3-7-14-10-12-16(13-11-14)17-15-8-5-4-6-9-15/h4-6,8-10,12,17H,2-3,7,11,13H2,1H3
InChIKeyYGMGZCDTEIFRRH-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.89
Rot. Bonds5

About N-(4-butylcyclohexa-1,3-dien-1-yl)aniline

N-(4-butylcyclohexa-1,3-dien-1-yl)aniline (PubChem CID 143215928) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(4-butylcyclohexa-1,3-dien-1-yl)aniline.

Molecular Properties

Compound NameN-(4-butylcyclohexa-1,3-dien-1-yl)aniline
PubChem CID143215928
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN-(4-butylcyclohexa-1,3-dien-1-yl)aniline
SMILESCCCCC1=CC=C(Nc2ccccc2)CC1
InChIInChI=1S/C16H21N/c1-2-3-7-14-10-12-16(13-11-14)17-15-8-5-4-6-9-15/h4-6,8-10,12,17H,2-3,7,11,13H2,1H3
InChIKeyYGMGZCDTEIFRRH-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-butylphenyl)-N-phenylaniline
CID 141426915
4-butyl-N-phenyl-1,3-thiazol-2-amine
CID 141316457
2-pentyl-N-phenylaniline
CID 20516677
octan-1-amine;N-phenylaniline
CID 68728866
nonane;N-phenylnaphthalen-2-amine
CID 159912384
methane;1-methyl-4-(4-pentylcyclohexa-1,3-dien-1-yl)benzene
CID 143415322
(3-butylcyclopent-2-en-1-yl)benzene
CID 13199080
1-butyl-4-ethylcyclopenta-1,3-diene
CID 139667427
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
2-hexyl-4-N-phenylbenzene-1,4-diamine
CID 67108277
(5Z)-N-phenyl-5-(tributylstannylmethylidene)-3,4-dihydro-2H-pyridin-6-amine
CID 177390546
4-(5-phenylnonan-5-yl)-N-[4-(5-phenylnonan-5-yl)phenyl]aniline
CID 67826991

Frequently Asked Questions

What is the IUPAC name of N-(4-butylcyclohexa-1,3-dien-1-yl)aniline?
The IUPAC name of N-(4-butylcyclohexa-1,3-dien-1-yl)aniline (CID 143215928) is N-(4-butylcyclohexa-1,3-dien-1-yl)aniline.
What is the SMILES notation for N-(4-butylcyclohexa-1,3-dien-1-yl)aniline?
The canonical SMILES for N-(4-butylcyclohexa-1,3-dien-1-yl)aniline is CCCCC1=CC=C(Nc2ccccc2)CC1.
What is the InChIKey of N-(4-butylcyclohexa-1,3-dien-1-yl)aniline?
The InChIKey is YGMGZCDTEIFRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-2-3-7-14-10-12-16(13-11-14)17-15-8-5-4-6-9-15/h4-6,8-10,12,17H,2-3,7,11,13H2,1H3.
What are the key properties of N-(4-butylcyclohexa-1,3-dien-1-yl)aniline?
N-(4-butylcyclohexa-1,3-dien-1-yl)aniline has a molecular weight of 227.35 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylcyclohexa-1,3-dien-1-yl)aniline is sourced from PubChem (CID 143215928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).