N-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine

C16H26N2 — CID 105348315

IUPACN-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine
SMILESC=CCCCN(C)Cc1ccc(CCNC)cc1
InChIInChI=1S/C16H26N2/c1-4-5-6-13-18(3)14-16-9-7-15(8-10-16)11-12-17-2/h4,7-10,17H,1,5-6,11-14H2,2-3H3
InChIKeyAAVMWVHFANQNHW-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.85
Rot. Bonds9

About N-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine

N-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine (PubChem CID 105348315) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine
PubChem CID105348315
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine
SMILESC=CCCCN(C)Cc1ccc(CCNC)cc1
InChIInChI=1S/C16H26N2/c1-4-5-6-13-18(3)14-16-9-7-15(8-10-16)11-12-17-2/h4,7-10,17H,1,5-6,11-14H2,2-3H3
InChIKeyAAVMWVHFANQNHW-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine
CID 115197894
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylpent-4-en-1-amine
CID 107455677
N,2,2-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
CID 105347507
N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 61413181
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574
2-[4-(but-3-enoxymethyl)phenyl]-N-methylethanamine
CID 105348956
N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 55069287
N-benzyl-N-methylbut-3-en-1-amine
CID 10702410
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
CID 90352637
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346572
N-methyl-2-[4-(prop-2-enoxymethyl)phenyl]ethanamine
CID 105348927
4-[(4-fluorophenyl)methyl-methylamino]butanal
CID 176696174

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine?
The IUPAC name of N-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine (CID 105348315) is N-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine.
What is the SMILES notation for N-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine?
The canonical SMILES for N-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine is C=CCCCN(C)Cc1ccc(CCNC)cc1.
What is the InChIKey of N-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine?
The InChIKey is AAVMWVHFANQNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-5-6-13-18(3)14-16-9-7-15(8-10-16)11-12-17-2/h4,7-10,17H,1,5-6,11-14H2,2-3H3.
What are the key properties of N-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine?
N-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine is sourced from PubChem (CID 105348315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).