N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine

C18H25N — CID 43634382

IUPACN-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NC(C3CC3)C3CC3)C2)c1
InChIInChI=1S/C18H25N/c1-12-3-2-4-15(9-12)16-10-17(11-16)19-18(13-5-6-13)14-7-8-14/h2-4,9,13-14,16-19H,5-8,10-11H2,1H3
InChIKeyNYDGYOGNYDUQFH-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.02
Rot. Bonds5

About N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine

N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine (PubChem CID 43634382) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
PubChem CID43634382
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC NameN-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NC(C3CC3)C3CC3)C2)c1
InChIInChI=1S/C18H25N/c1-12-3-2-4-15(9-12)16-10-17(11-16)19-18(13-5-6-13)14-7-8-14/h2-4,9,13-14,16-19H,5-8,10-11H2,1H3
InChIKeyNYDGYOGNYDUQFH-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43635502
3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81369233
2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol
CID 43635472
3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 81350272
N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 63843288
N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine
CID 43632705
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine
CID 104530209
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 43723071
2-[[3-(3-methylphenyl)cyclobutyl]amino]-2-phenylethanol
CID 63182462
3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol
CID 104530246

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine (CID 43634382) is N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine is Cc1cccc(C2CC(NC(C3CC3)C3CC3)C2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine?
The InChIKey is NYDGYOGNYDUQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-12-3-2-4-15(9-12)16-10-17(11-16)19-18(13-5-6-13)14-7-8-14/h2-4,9,13-14,16-19H,5-8,10-11H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine?
N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 43634382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).