N-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine

C16H25N — CID 66742904

IUPACN-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine
SMILESC=Cc1cccc(CCN(CCC)CCC)c1
InChIInChI=1S/C16H25N/c1-4-11-17(12-5-2)13-10-16-9-7-8-15(6-3)14-16/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyMGTHPNLEIRLGOT-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.99
Rot. Bonds8

About N-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine

N-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine (PubChem CID 66742904) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine
PubChem CID66742904
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine
SMILESC=Cc1cccc(CCN(CCC)CCC)c1
InChIInChI=1S/C16H25N/c1-4-11-17(12-5-2)13-10-16-9-7-8-15(6-3)14-16/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyMGTHPNLEIRLGOT-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-ethenylphenyl)-N,N-bis(trimethylsilyl)ethanamine
CID 22600308
1-ethenyl-3-(3-propylphenyl)benzene
CID 90994074
4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine
CID 68645781
(3-ethenylphenyl)methylphosphanium chloride
CID 159346927
1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene
CID 175399717
1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium
CID 135291635
2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene
CID 159854693
1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene
CID 91200175
N-(2-naphthalen-2-ylethyl)-N-propylpropan-1-amine
CID 11230589
1-[(1E)-buta-1,3-dienyl]-3-propylbenzene
CID 173472577
(3-ethenylphenyl)methyl-dimethyl-propylazanium bromide
CID 139678057
1-ethenyl-3-(phenylmethoxymethyl)benzene
CID 10443616

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine?
The IUPAC name of N-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine (CID 66742904) is N-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine is C=Cc1cccc(CCN(CCC)CCC)c1.
What is the InChIKey of N-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine?
The InChIKey is MGTHPNLEIRLGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-11-17(12-5-2)13-10-16-9-7-8-15(6-3)14-16/h6-9,14H,3-5,10-13H2,1-2H3.
What are the key properties of N-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine?
N-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 66742904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).