N-hexyl-4-pyrrolidin-1-ylaniline

C16H26N2 — CID 43228680

IUPACN-hexyl-4-pyrrolidin-1-ylaniline
SMILESCCCCCCNc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H26N2/c1-2-3-4-5-12-17-15-8-10-16(11-9-15)18-13-6-7-14-18/h8-11,17H,2-7,12-14H2,1H3
InChIKeyCQUYLPWDPXUMQF-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.28
Rot. Bonds7

About N-hexyl-4-pyrrolidin-1-ylaniline

N-hexyl-4-pyrrolidin-1-ylaniline (PubChem CID 43228680) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-hexyl-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-hexyl-4-pyrrolidin-1-ylaniline
PubChem CID43228680
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-hexyl-4-pyrrolidin-1-ylaniline
SMILESCCCCCCNc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H26N2/c1-2-3-4-5-12-17-15-8-10-16(11-9-15)18-13-6-7-14-18/h8-11,17H,2-7,12-14H2,1H3
InChIKeyCQUYLPWDPXUMQF-UHFFFAOYSA-N
XLogP4.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-heptyl-4-piperidin-1-ylaniline
CID 43715656
6-(4-piperidin-1-ylanilino)hexan-1-ol
CID 103867999
N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine
CID 83949113
N-butyl-4-morpholin-4-ylaniline
CID 28675754
N-butyl-4-(4-ethylpiperazin-1-yl)aniline
CID 112721980
N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine
CID 59230134
5-(4-piperidin-1-ylanilino)pentanenitrile
CID 63179154
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine
CID 63179252
5-[4-(4-ethylpiperazin-1-yl)anilino]pentan-1-ol
CID 112721979
N-hexyl-4-(triazol-2-yl)aniline
CID 43740283
N-(3-methylbutyl)-4-piperidin-1-ylaniline
CID 39349482

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-pyrrolidin-1-ylaniline?
The IUPAC name of N-hexyl-4-pyrrolidin-1-ylaniline (CID 43228680) is N-hexyl-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-hexyl-4-pyrrolidin-1-ylaniline?
The canonical SMILES for N-hexyl-4-pyrrolidin-1-ylaniline is CCCCCCNc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-hexyl-4-pyrrolidin-1-ylaniline?
The InChIKey is CQUYLPWDPXUMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-3-4-5-12-17-15-8-10-16(11-9-15)18-13-6-7-14-18/h8-11,17H,2-7,12-14H2,1H3.
What are the key properties of N-hexyl-4-pyrrolidin-1-ylaniline?
N-hexyl-4-pyrrolidin-1-ylaniline has a molecular weight of 246.40 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 43228680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).