4-[4-(cyclobutylamino)butan-2-yl]aniline

C14H22N2 — CID 104501639

IUPAC4-[4-(cyclobutylamino)butan-2-yl]aniline
SMILESCC(CCNC1CCC1)c1ccc(N)cc1
InChIInChI=1S/C14H22N2/c1-11(9-10-16-14-3-2-4-14)12-5-7-13(15)8-6-12/h5-8,11,14,16H,2-4,9-10,15H2,1H3
InChIKeyHOBNHXAWDMSSNA-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.90
Rot. Bonds5

About 4-[4-(cyclobutylamino)butan-2-yl]aniline

4-[4-(cyclobutylamino)butan-2-yl]aniline (PubChem CID 104501639) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[4-(cyclobutylamino)butan-2-yl]aniline.

Molecular Properties

Compound Name4-[4-(cyclobutylamino)butan-2-yl]aniline
PubChem CID104501639
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-[4-(cyclobutylamino)butan-2-yl]aniline
SMILESCC(CCNC1CCC1)c1ccc(N)cc1
InChIInChI=1S/C14H22N2/c1-11(9-10-16-14-3-2-4-14)12-5-7-13(15)8-6-12/h5-8,11,14,16H,2-4,9-10,15H2,1H3
InChIKeyHOBNHXAWDMSSNA-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine
CID 81019318
N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine
CID 81019662
4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline
CID 104501405
N-(3-phenylbutyl)thian-3-amine
CID 62988894
N-(3-thiophen-3-ylbutyl)cyclopropanamine
CID 81020128
1-N-(3-phenylbutyl)cyclobutane-1,3-diamine
CID 80562292
4-[1-(cyclopentylamino)ethyl]aniline
CID 82933347
1,1-dioxo-N-(3-phenylbutyl)thian-3-amine
CID 63922445
N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63463227
3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine
CID 139827959
N-[2-(4-methylphenyl)propyl]cyclopentanamine
CID 115641829
2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine
CID 113483440

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclobutylamino)butan-2-yl]aniline?
The IUPAC name of 4-[4-(cyclobutylamino)butan-2-yl]aniline (CID 104501639) is 4-[4-(cyclobutylamino)butan-2-yl]aniline.
What is the SMILES notation for 4-[4-(cyclobutylamino)butan-2-yl]aniline?
The canonical SMILES for 4-[4-(cyclobutylamino)butan-2-yl]aniline is CC(CCNC1CCC1)c1ccc(N)cc1.
What is the InChIKey of 4-[4-(cyclobutylamino)butan-2-yl]aniline?
The InChIKey is HOBNHXAWDMSSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(9-10-16-14-3-2-4-14)12-5-7-13(15)8-6-12/h5-8,11,14,16H,2-4,9-10,15H2,1H3.
What are the key properties of 4-[4-(cyclobutylamino)butan-2-yl]aniline?
4-[4-(cyclobutylamino)butan-2-yl]aniline has a molecular weight of 218.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclobutylamino)butan-2-yl]aniline is sourced from PubChem (CID 104501639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).