(E)-N-methyl-4-(3-propylphenyl)but-3-en-1-amine

C14H21N — CID 116546325

IUPAC(E)-N-methyl-4-(3-propylphenyl)but-3-en-1-amine
SMILESCCCc1cccc(/C=C/CCNC)c1
InChIInChI=1S/C14H21N/c1-3-7-13-9-6-10-14(12-13)8-4-5-11-15-2/h4,6,8-10,12,15H,3,5,7,11H2,1-2H3/b8-4+
InChIKeyMJTQGCPTONZVFH-XBXARRHUSA-N
MW203.33 g/mol
LogP3.26
Rot. Bonds6

About (E)-N-methyl-4-(3-propylphenyl)but-3-en-1-amine

(E)-N-methyl-4-(3-propylphenyl)but-3-en-1-amine (PubChem CID 116546325) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (E)-N-methyl-4-(3-propylphenyl)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-4-(3-propylphenyl)but-3-en-1-amine
PubChem CID116546325
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(E)-N-methyl-4-(3-propylphenyl)but-3-en-1-amine
SMILESCCCc1cccc(/C=C/CCNC)c1
InChIInChI=1S/C14H21N/c1-3-7-13-9-6-10-14(12-13)8-4-5-11-15-2/h4,6,8-10,12,15H,3,5,7,11H2,1-2H3/b8-4+
InChIKeyMJTQGCPTONZVFH-XBXARRHUSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.26
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

(E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine
CID 116546326
methyl 2-[3-[4-(methylamino)but-1-enyl]phenyl]acetate
CID 170496282
1-[(Z)-prop-1-enyl]-3-propylbenzene
CID 144823919
N-methyl-4-(3-trimethylsilylphenyl)but-3-en-1-amine
CID 170495970
4-(3-ethynylphenyl)-N-methylbut-3-en-1-amine
CID 170495317
1-[(1E)-buta-1,3-dienyl]-3-propylbenzene
CID 173472577
3-[4-(methylamino)but-1-enyl]benzenecarbothioamide
CID 170495747
N-methyl-4-[3-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 79591557
4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine
CID 170495473
4-[3-(methylaminomethyl)phenyl]but-3-enal
CID 170481882
4-[3-(ethylaminomethyl)phenyl]but-3-ene-1-thiol
CID 170478713
methyl 3-(3-propylphenyl)prop-2-enoate
CID 139892628

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-4-(3-propylphenyl)but-3-en-1-amine?
The IUPAC name of (E)-N-methyl-4-(3-propylphenyl)but-3-en-1-amine (CID 116546325) is (E)-N-methyl-4-(3-propylphenyl)but-3-en-1-amine.
What is the SMILES notation for (E)-N-methyl-4-(3-propylphenyl)but-3-en-1-amine?
The canonical SMILES for (E)-N-methyl-4-(3-propylphenyl)but-3-en-1-amine is CCCc1cccc(/C=C/CCNC)c1.
What is the InChIKey of (E)-N-methyl-4-(3-propylphenyl)but-3-en-1-amine?
The InChIKey is MJTQGCPTONZVFH-XBXARRHUSA-N. The full InChI is InChI=1S/C14H21N/c1-3-7-13-9-6-10-14(12-13)8-4-5-11-15-2/h4,6,8-10,12,15H,3,5,7,11H2,1-2H3/b8-4+.
What are the key properties of (E)-N-methyl-4-(3-propylphenyl)but-3-en-1-amine?
(E)-N-methyl-4-(3-propylphenyl)but-3-en-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-4-(3-propylphenyl)but-3-en-1-amine is sourced from PubChem (CID 116546325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).