N-methylbut-3-en-1-amine;1,4-xylene

C13H21N — CID 153363449

IUPACN-methylbut-3-en-1-amine;1,4-xylene
SMILESC=CCCNC.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C5H11N/c1-7-3-5-8(2)6-4-7;1-3-4-5-6-2/h3-6H,1-2H3;3,6H,1,4-5H2,2H3
InChIKeyVQPDGFDSGUOOQQ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.09
Rot. Bonds3

About N-methylbut-3-en-1-amine;1,4-xylene

N-methylbut-3-en-1-amine;1,4-xylene (PubChem CID 153363449) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-methylbut-3-en-1-amine;1,4-xylene.

Molecular Properties

Compound NameN-methylbut-3-en-1-amine;1,4-xylene
PubChem CID153363449
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-methylbut-3-en-1-amine;1,4-xylene
SMILESC=CCCNC.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C5H11N/c1-7-3-5-8(2)6-4-7;1-3-4-5-6-2/h3-6H,1-2H3;3,6H,1,4-5H2,2H3
InChIKeyVQPDGFDSGUOOQQ-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methylethanamine;1-methyl-4-(4-methylphenyl)benzene
CID 142479341
N-(2-but-3-enoxyethyl)-4-methylaniline
CID 62599565
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
N-hex-5-en-2-yl-4-methylaniline
CID 75525041
N-methyl-2-(4-methylphenyl)pent-4-en-1-amine
CID 154930772
N-methylmethanamine;1,4-xylene
CID 66760370
4-methyl-2-[4-(methylamino)but-1-enyl]benzaldehyde
CID 170495666
buta-1,3-diene;ethane;prop-1-ene;1,4-xylene
CID 142250426
1-hex-5-enyl-4-(4-methylphenyl)benzene
CID 59812350
N-methyl-3-(4-methylphenyl)propan-1-amine
CID 10953856
N-but-3-enyl-N'-[4-(4-methylphenyl)sulfonylbut-3-enyl]butane-1,4-diamine
CID 67936482
but-3-enylbenzene;penta-1,4-diene;1,4-xylene
CID 145097362

Frequently Asked Questions

What is the IUPAC name of N-methylbut-3-en-1-amine;1,4-xylene?
The IUPAC name of N-methylbut-3-en-1-amine;1,4-xylene (CID 153363449) is N-methylbut-3-en-1-amine;1,4-xylene.
What is the SMILES notation for N-methylbut-3-en-1-amine;1,4-xylene?
The canonical SMILES for N-methylbut-3-en-1-amine;1,4-xylene is C=CCCNC.Cc1ccc(C)cc1.
What is the InChIKey of N-methylbut-3-en-1-amine;1,4-xylene?
The InChIKey is VQPDGFDSGUOOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C5H11N/c1-7-3-5-8(2)6-4-7;1-3-4-5-6-2/h3-6H,1-2H3;3,6H,1,4-5H2,2H3.
What are the key properties of N-methylbut-3-en-1-amine;1,4-xylene?
N-methylbut-3-en-1-amine;1,4-xylene has a molecular weight of 191.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbut-3-en-1-amine;1,4-xylene is sourced from PubChem (CID 153363449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).