N-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline

C17H30N2 — CID 43295026

IUPACN-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline
SMILESCCCCCN(C)c1ccc(C(C)NCCC)cc1
InChIInChI=1S/C17H30N2/c1-5-7-8-14-19(4)17-11-9-16(10-12-17)15(3)18-13-6-2/h9-12,15,18H,5-8,13-14H2,1-4H3
InChIKeyVLCIOYQRVWZXIC-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.37
Rot. Bonds9

About N-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline

N-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline (PubChem CID 43295026) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline.

Molecular Properties

Compound NameN-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline
PubChem CID43295026
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline
SMILESCCCCCN(C)c1ccc(C(C)NCCC)cc1
InChIInChI=1S/C17H30N2/c1-5-7-8-14-19(4)17-11-9-16(10-12-17)15(3)18-13-6-2/h9-12,15,18H,5-8,13-14H2,1-4H3
InChIKeyVLCIOYQRVWZXIC-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

N'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695069
1-[4-[butyl(methyl)amino]phenyl]ethanol
CID 43505960
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline
CID 61418340
5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 107200476
2-[N-(cyanomethyl)-4-[1-(propylamino)ethyl]anilino]acetonitrile
CID 43284110
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
N-[1-(4-methylphenyl)ethyl]nonan-1-amine
CID 63491901
N-[1-(4-ethylphenyl)ethyl]pentan-1-amine
CID 43080427
N-[1-(4-methylphenyl)ethyl]octan-1-amine
CID 5158361
N-methyl-N-(oxan-2-ylmethyl)-4-[1-(propylamino)ethyl]aniline
CID 61432333

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline?
The IUPAC name of N-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline (CID 43295026) is N-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline.
What is the SMILES notation for N-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline?
The canonical SMILES for N-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline is CCCCCN(C)c1ccc(C(C)NCCC)cc1.
What is the InChIKey of N-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline?
The InChIKey is VLCIOYQRVWZXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-7-8-14-19(4)17-11-9-16(10-12-17)15(3)18-13-6-2/h9-12,15,18H,5-8,13-14H2,1-4H3.
What are the key properties of N-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline?
N-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline 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 N-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline is sourced from PubChem (CID 43295026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).