4-[3-(7-methyloctylamino)propyl]aniline

C18H32N2 — CID 107815674

IUPAC4-[3-(7-methyloctylamino)propyl]aniline
SMILESCC(C)CCCCCCNCCCc1ccc(N)cc1
InChIInChI=1S/C18H32N2/c1-16(2)8-5-3-4-6-14-20-15-7-9-17-10-12-18(19)13-11-17/h10-13,16,20H,3-9,14-15,19H2,1-2H3
InChIKeyNELFATIFLQNRQY-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.40
Rot. Bonds11

About 4-[3-(7-methyloctylamino)propyl]aniline

4-[3-(7-methyloctylamino)propyl]aniline (PubChem CID 107815674) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 4-[3-(7-methyloctylamino)propyl]aniline.

Molecular Properties

Compound Name4-[3-(7-methyloctylamino)propyl]aniline
PubChem CID107815674
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name4-[3-(7-methyloctylamino)propyl]aniline
SMILESCC(C)CCCCCCNCCCc1ccc(N)cc1
InChIInChI=1S/C18H32N2/c1-16(2)8-5-3-4-6-14-20-15-7-9-17-10-12-18(19)13-11-17/h10-13,16,20H,3-9,14-15,19H2,1-2H3
InChIKeyNELFATIFLQNRQY-UHFFFAOYSA-N
XLogP4.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(5-methylhexylamino)ethyl]aniline
CID 115326174
4-[2-(octylamino)ethyl]aniline
CID 113337418
4-N-(6-methylheptyl)benzene-1,4-diamine
CID 141141781
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
4-[3-(2,2,3-trimethylbutylamino)propyl]aniline
CID 114100569
1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide
CID 115324575
4-[3-[(1-propan-2-ylcyclopropyl)methylamino]propyl]aniline
CID 114114017
4-[3-(4,4,4-trifluorobutylamino)propyl]aniline
CID 113327688
5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine
CID 115325808
1-(6-methylheptyl)-4-pentylbenzene
CID 158425503
1,4-bis(8-methylnonyl)benzene;phosphorous acid
CID 175244550

Frequently Asked Questions

What is the IUPAC name of 4-[3-(7-methyloctylamino)propyl]aniline?
The IUPAC name of 4-[3-(7-methyloctylamino)propyl]aniline (CID 107815674) is 4-[3-(7-methyloctylamino)propyl]aniline.
What is the SMILES notation for 4-[3-(7-methyloctylamino)propyl]aniline?
The canonical SMILES for 4-[3-(7-methyloctylamino)propyl]aniline is CC(C)CCCCCCNCCCc1ccc(N)cc1.
What is the InChIKey of 4-[3-(7-methyloctylamino)propyl]aniline?
The InChIKey is NELFATIFLQNRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-16(2)8-5-3-4-6-14-20-15-7-9-17-10-12-18(19)13-11-17/h10-13,16,20H,3-9,14-15,19H2,1-2H3.
What are the key properties of 4-[3-(7-methyloctylamino)propyl]aniline?
4-[3-(7-methyloctylamino)propyl]aniline has a molecular weight of 276.47 g/mol, XLogP of 4.40, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(7-methyloctylamino)propyl]aniline is sourced from PubChem (CID 107815674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).