N-(5-methylheptan-3-yl)-3-propan-2-ylaniline

C17H29N — CID 43097145

IUPACN-(5-methylheptan-3-yl)-3-propan-2-ylaniline
SMILESCCC(C)CC(CC)Nc1cccc(C(C)C)c1
InChIInChI=1S/C17H29N/c1-6-14(5)11-16(7-2)18-17-10-8-9-15(12-17)13(3)4/h8-10,12-14,16,18H,6-7,11H2,1-5H3
InChIKeyAAJIUJGKLDKXPD-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.44
Rot. Bonds7

About N-(5-methylheptan-3-yl)-3-propan-2-ylaniline

N-(5-methylheptan-3-yl)-3-propan-2-ylaniline (PubChem CID 43097145) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-(5-methylheptan-3-yl)-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-(5-methylheptan-3-yl)-3-propan-2-ylaniline
PubChem CID43097145
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-(5-methylheptan-3-yl)-3-propan-2-ylaniline
SMILESCCC(C)CC(CC)Nc1cccc(C(C)C)c1
InChIInChI=1S/C17H29N/c1-6-14(5)11-16(7-2)18-17-10-8-9-15(12-17)13(3)4/h8-10,12-14,16,18H,6-7,11H2,1-5H3
InChIKeyAAJIUJGKLDKXPD-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-heptan-3-yl-3-propan-2-ylaniline
CID 63946892
3-ethynyl-N-(5-methylheptan-3-yl)aniline
CID 43106510
N-(5-methylheptan-3-yl)-3-methylsulfonylaniline
CID 54861663
4-N-(5-methylheptan-3-yl)-1-N-phenylbenzene-1,4-diamine
CID 19781413
3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide
CID 43693956
N-(1-cyclopropylpropyl)-3-propan-2-ylaniline
CID 64918380
2-N-(3-propan-2-ylphenyl)propane-1,2-diamine
CID 103387503
N-hexan-2-yl-3-propan-2-ylaniline
CID 43768976
2-(3-propan-2-ylanilino)butanamide
CID 62900215
N-(5-methylheptan-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43714309
N-(5-methylheptan-3-yl)-4-phenylaniline
CID 43716868
N-(5-methylheptan-3-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 63450959

Frequently Asked Questions

What is the IUPAC name of N-(5-methylheptan-3-yl)-3-propan-2-ylaniline?
The IUPAC name of N-(5-methylheptan-3-yl)-3-propan-2-ylaniline (CID 43097145) is N-(5-methylheptan-3-yl)-3-propan-2-ylaniline.
What is the SMILES notation for N-(5-methylheptan-3-yl)-3-propan-2-ylaniline?
The canonical SMILES for N-(5-methylheptan-3-yl)-3-propan-2-ylaniline is CCC(C)CC(CC)Nc1cccc(C(C)C)c1.
What is the InChIKey of N-(5-methylheptan-3-yl)-3-propan-2-ylaniline?
The InChIKey is AAJIUJGKLDKXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-14(5)11-16(7-2)18-17-10-8-9-15(12-17)13(3)4/h8-10,12-14,16,18H,6-7,11H2,1-5H3.
What are the key properties of N-(5-methylheptan-3-yl)-3-propan-2-ylaniline?
N-(5-methylheptan-3-yl)-3-propan-2-ylaniline has a molecular weight of 247.43 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylheptan-3-yl)-3-propan-2-ylaniline is sourced from PubChem (CID 43097145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).