4-[1-(ethylamino)heptyl]-N,N-dimethylaniline

C17H30N2 — CID 105126485

IUPAC4-[1-(ethylamino)heptyl]-N,N-dimethylaniline
SMILESCCCCCCC(NCC)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H30N2/c1-5-7-8-9-10-17(18-6-2)15-11-13-16(14-12-15)19(3)4/h11-14,17-18H,5-10H2,1-4H3
InChIKeyDHZCHQVPBWMTTN-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.37
Rot. Bonds9

About 4-[1-(ethylamino)heptyl]-N,N-dimethylaniline

4-[1-(ethylamino)heptyl]-N,N-dimethylaniline (PubChem CID 105126485) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-[1-(ethylamino)heptyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-(ethylamino)heptyl]-N,N-dimethylaniline
PubChem CID105126485
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name4-[1-(ethylamino)heptyl]-N,N-dimethylaniline
SMILESCCCCCCC(NCC)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H30N2/c1-5-7-8-9-10-17(18-6-2)15-11-13-16(14-12-15)19(3)4/h11-14,17-18H,5-10H2,1-4H3
InChIKeyDHZCHQVPBWMTTN-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-ethylhexan-1-amine
CID 43488947
1-(4-butoxyphenyl)-N-ethylheptan-1-amine
CID 105125826
N-ethyl-1-(4-methylsulfanylphenyl)heptan-1-amine
CID 115833600
N-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine
CID 43492130
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyloctan-1-amine
CID 43490459
4-(1-aminododecyl)-N,N-dimethylaniline
CID 154320367
4-[4-[1-(ethylamino)propyl]phenyl]-N,N-dimethylaniline
CID 61025300
1-(3,4-diethylphenyl)-N-ethylheptan-1-amine
CID 114752651
4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline
CID 105165499
1-(3-chloro-4-iodophenyl)-N-ethyldecan-1-amine
CID 103214873
N-ethyl-1-(4-iodophenyl)pentan-1-amine
CID 115832720
N-ethyl-1-(4-ethylphenyl)pentan-1-amine
CID 43491414

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)heptyl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-(ethylamino)heptyl]-N,N-dimethylaniline (CID 105126485) is 4-[1-(ethylamino)heptyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-(ethylamino)heptyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-(ethylamino)heptyl]-N,N-dimethylaniline is CCCCCCC(NCC)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[1-(ethylamino)heptyl]-N,N-dimethylaniline?
The InChIKey is DHZCHQVPBWMTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-7-8-9-10-17(18-6-2)15-11-13-16(14-12-15)19(3)4/h11-14,17-18H,5-10H2,1-4H3.
What are the key properties of 4-[1-(ethylamino)heptyl]-N,N-dimethylaniline?
4-[1-(ethylamino)heptyl]-N,N-dimethylaniline has a molecular weight of 262.44 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)heptyl]-N,N-dimethylaniline is sourced from PubChem (CID 105126485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).