N-[3-(3-methylphenyl)propyl]cyclobutanamine

C14H21N — CID 22492849

IUPACN-[3-(3-methylphenyl)propyl]cyclobutanamine
SMILESCc1cccc(CCCNC2CCC2)c1
InChIInChI=1S/C14H21N/c1-12-5-2-6-13(11-12)7-4-10-15-14-8-3-9-14/h2,5-6,11,14-15H,3-4,7-10H2,1H3
InChIKeyQDVOUSSQCKXAGT-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.07
Rot. Bonds5

About N-[3-(3-methylphenyl)propyl]cyclobutanamine

N-[3-(3-methylphenyl)propyl]cyclobutanamine (PubChem CID 22492849) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[3-(3-methylphenyl)propyl]cyclobutanamine.

Molecular Properties

Compound NameN-[3-(3-methylphenyl)propyl]cyclobutanamine
PubChem CID22492849
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-[3-(3-methylphenyl)propyl]cyclobutanamine
SMILESCc1cccc(CCCNC2CCC2)c1
InChIInChI=1S/C14H21N/c1-12-5-2-6-13(11-12)7-4-10-15-14-8-3-9-14/h2,5-6,11,14-15H,3-4,7-10H2,1H3
InChIKeyQDVOUSSQCKXAGT-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091130
4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 62313168
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine
CID 55112789
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine
CID 79019318
N-[2-(3-methylphenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63476591
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 104859744
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 64500281
4-[2-(3-methylphenyl)ethylamino]azepan-2-one
CID 63887888
3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 80705858
1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 55062758

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylphenyl)propyl]cyclobutanamine?
The IUPAC name of N-[3-(3-methylphenyl)propyl]cyclobutanamine (CID 22492849) is N-[3-(3-methylphenyl)propyl]cyclobutanamine.
What is the SMILES notation for N-[3-(3-methylphenyl)propyl]cyclobutanamine?
The canonical SMILES for N-[3-(3-methylphenyl)propyl]cyclobutanamine is Cc1cccc(CCCNC2CCC2)c1.
What is the InChIKey of N-[3-(3-methylphenyl)propyl]cyclobutanamine?
The InChIKey is QDVOUSSQCKXAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-12-5-2-6-13(11-12)7-4-10-15-14-8-3-9-14/h2,5-6,11,14-15H,3-4,7-10H2,1H3.
What are the key properties of N-[3-(3-methylphenyl)propyl]cyclobutanamine?
N-[3-(3-methylphenyl)propyl]cyclobutanamine has a molecular weight of 203.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylphenyl)propyl]cyclobutanamine is sourced from PubChem (CID 22492849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).