N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine

C15H24N2 — CID 113288145

IUPACN',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine
SMILESC=C(CNCCCCN(C)C)c1ccccc1
InChIInChI=1S/C15H24N2/c1-14(15-9-5-4-6-10-15)13-16-11-7-8-12-17(2)3/h4-6,9-10,16H,1,7-8,11-13H2,2-3H3
InChIKeyFWKNIRHBQKTSGE-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.63
Rot. Bonds8

About N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine

N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine (PubChem CID 113288145) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine
PubChem CID113288145
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine
SMILESC=C(CNCCCCN(C)C)c1ccccc1
InChIInChI=1S/C15H24N2/c1-14(15-9-5-4-6-10-15)13-16-11-7-8-12-17(2)3/h4-6,9-10,16H,1,7-8,11-13H2,2-3H3
InChIKeyFWKNIRHBQKTSGE-UHFFFAOYSA-N
XLogP2.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine
CID 113288084
6-(2-phenylprop-2-enylamino)hexan-1-ol
CID 107851678
7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine
CID 107814964
N-(2-phenylprop-2-enyl)hex-5-yn-1-amine
CID 106211574
N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide
CID 113288141
N-(2-phenylprop-2-enyl)pent-4-yn-1-amine
CID 106221350
3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 90318133
2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine
CID 114616833
1-(dimethylamino)-2-methyl-3-(2-phenylprop-2-enylamino)propan-2-ol
CID 106147571
3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 115328287
2-[4-(diethylamino)butylamino]-1-phenylethanone
CID 82101197
N-[2-(4-methoxyphenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328049

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine (CID 113288145) is N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine is C=C(CNCCCCN(C)C)c1ccccc1.
What is the InChIKey of N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine?
The InChIKey is FWKNIRHBQKTSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-14(15-9-5-4-6-10-15)13-16-11-7-8-12-17(2)3/h4-6,9-10,16H,1,7-8,11-13H2,2-3H3.
What are the key properties of N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine?
N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine is sourced from PubChem (CID 113288145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).