N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine

C18H29N — CID 43635717

IUPACN-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine
SMILESCCCCCC(C)NC1CC(c2ccc(C)cc2)C1
InChIInChI=1S/C18H29N/c1-4-5-6-7-15(3)19-18-12-17(13-18)16-10-8-14(2)9-11-16/h8-11,15,17-19H,4-7,12-13H2,1-3H3
InChIKeyAJRCKDKSCUZSBX-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.80
Rot. Bonds7

About N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine

N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine (PubChem CID 43635717) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine
PubChem CID43635717
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine
SMILESCCCCCC(C)NC1CC(c2ccc(C)cc2)C1
InChIInChI=1S/C18H29N/c1-4-5-6-7-15(3)19-18-12-17(13-18)16-10-8-14(2)9-11-16/h8-11,15,17-19H,4-7,12-13H2,1-3H3
InChIKeyAJRCKDKSCUZSBX-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.80
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-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 62199823
3-(4-methylphenyl)-N-pentan-3-ylcyclobutan-1-amine
CID 43632713
N-butyl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633076
3-(2-chlorophenyl)-N-heptan-2-ylcyclobutan-1-amine
CID 43635714
N-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 43634568
N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine
CID 103561562
3-(4-methylphenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749167
N-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43634778
N-(1-cyclopropylethyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635495
N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633229
2-[[3-(4-methylphenyl)cyclobutyl]amino]propanoic acid
CID 54959235
3-ethoxy-N-nonan-2-ylcyclobutan-1-amine
CID 114118781

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine (CID 43635717) is N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine is CCCCCC(C)NC1CC(c2ccc(C)cc2)C1.
What is the InChIKey of N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine?
The InChIKey is AJRCKDKSCUZSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-5-6-7-15(3)19-18-12-17(13-18)16-10-8-14(2)9-11-16/h8-11,15,17-19H,4-7,12-13H2,1-3H3.
What are the key properties of N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine?
N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 43635717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).