(3-ethyl-4-propylphenyl)methanamine;2-methyl-3,4-dimethylidenecyclobuten-1-amine

C19H28N2 — CID 145471774

IUPAC(3-ethyl-4-propylphenyl)methanamine;2-methyl-3,4-dimethylidenecyclobuten-1-amine
SMILESC=C1C(=C)C(N)=C1C.CCCc1ccc(CN)cc1CC
InChIInChI=1S/C12H19N.C7H9N/c1-3-5-12-7-6-10(9-13)8-11(12)4-2;1-4-5(2)7(8)6(4)3/h6-8H,3-5,9,13H2,1-2H3;1-2,8H2,3H3
InChIKeyHBSPCOUSIOUOAA-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.01
Rot. Bonds4

About (3-ethyl-4-propylphenyl)methanamine;2-methyl-3,4-dimethylidenecyclobuten-1-amine

(3-ethyl-4-propylphenyl)methanamine;2-methyl-3,4-dimethylidenecyclobuten-1-amine (PubChem CID 145471774) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is (3-ethyl-4-propylphenyl)methanamine;2-methyl-3,4-dimethylidenecyclobuten-1-amine.

Molecular Properties

Compound Name(3-ethyl-4-propylphenyl)methanamine;2-methyl-3,4-dimethylidenecyclobuten-1-amine
PubChem CID145471774
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name(3-ethyl-4-propylphenyl)methanamine;2-methyl-3,4-dimethylidenecyclobuten-1-amine
SMILESC=C1C(=C)C(N)=C1C.CCCc1ccc(CN)cc1CC
InChIInChI=1S/C12H19N.C7H9N/c1-3-5-12-7-6-10(9-13)8-11(12)4-2;1-4-5(2)7(8)6(4)3/h6-8H,3-5,9,13H2,1-2H3;1-2,8H2,3H3
InChIKeyHBSPCOUSIOUOAA-UHFFFAOYSA-N
XLogP4.01
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-diethyl-4-propylbenzene
CID 54363919
2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine
CID 55266705
(2-methyl-4-propylphenyl)methanamine
CID 86664509
[4-[(4-ethylphenoxy)methyl]-3-propylphenyl]methanamine
CID 170299721
1-ethyl-2,3-dimethyl-4-propylbenzene
CID 86110138
2-N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3,4-dimethylidenecyclobutene-1,2-diamine;ethene
CID 143342012
2-(aminomethyl)-4-propylphenol
CID 12652118
4-(3,4-diethylphenyl)butan-1-amine
CID 115483378
2-bromo-1-ethyl-4-propylbenzene
CID 67149961
2-(2,5-diethylphenyl)ethanamine
CID 117277667
2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline
CID 139888848
2-ethyl-5-propylphenol
CID 522454

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-propylphenyl)methanamine;2-methyl-3,4-dimethylidenecyclobuten-1-amine?
The IUPAC name of (3-ethyl-4-propylphenyl)methanamine;2-methyl-3,4-dimethylidenecyclobuten-1-amine (CID 145471774) is (3-ethyl-4-propylphenyl)methanamine;2-methyl-3,4-dimethylidenecyclobuten-1-amine.
What is the SMILES notation for (3-ethyl-4-propylphenyl)methanamine;2-methyl-3,4-dimethylidenecyclobuten-1-amine?
The canonical SMILES for (3-ethyl-4-propylphenyl)methanamine;2-methyl-3,4-dimethylidenecyclobuten-1-amine is C=C1C(=C)C(N)=C1C.CCCc1ccc(CN)cc1CC.
What is the InChIKey of (3-ethyl-4-propylphenyl)methanamine;2-methyl-3,4-dimethylidenecyclobuten-1-amine?
The InChIKey is HBSPCOUSIOUOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C7H9N/c1-3-5-12-7-6-10(9-13)8-11(12)4-2;1-4-5(2)7(8)6(4)3/h6-8H,3-5,9,13H2,1-2H3;1-2,8H2,3H3.
What are the key properties of (3-ethyl-4-propylphenyl)methanamine;2-methyl-3,4-dimethylidenecyclobuten-1-amine?
(3-ethyl-4-propylphenyl)methanamine;2-methyl-3,4-dimethylidenecyclobuten-1-amine has a molecular weight of 284.45 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-propylphenyl)methanamine;2-methyl-3,4-dimethylidenecyclobuten-1-amine is sourced from PubChem (CID 145471774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).