N-(3-methylpentan-2-yl)-4-pentylaniline

C17H29N — CID 43103147

IUPACN-(3-methylpentan-2-yl)-4-pentylaniline
SMILESCCCCCc1ccc(NC(C)C(C)CC)cc1
InChIInChI=1S/C17H29N/c1-5-7-8-9-16-10-12-17(13-11-16)18-15(4)14(3)6-2/h10-15,18H,5-9H2,1-4H3
InChIKeyKGHQDSFJEZAEGL-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.27
Rot. Bonds8

About N-(3-methylpentan-2-yl)-4-pentylaniline

N-(3-methylpentan-2-yl)-4-pentylaniline (PubChem CID 43103147) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-(3-methylpentan-2-yl)-4-pentylaniline.

Molecular Properties

Compound NameN-(3-methylpentan-2-yl)-4-pentylaniline
PubChem CID43103147
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-(3-methylpentan-2-yl)-4-pentylaniline
SMILESCCCCCc1ccc(NC(C)C(C)CC)cc1
InChIInChI=1S/C17H29N/c1-5-7-8-9-16-10-12-17(13-11-16)18-15(4)14(3)6-2/h10-15,18H,5-9H2,1-4H3
InChIKeyKGHQDSFJEZAEGL-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylpentan-2-yl)-4-propylaniline
CID 43096096
3-ethenoxy-2-N,4-N-bis(4-hexylphenyl)pentane-2,4-diamine
CID 23562484
N-heptan-4-yl-4-pentylaniline
CID 63421629
N-(3-methylpentan-2-yl)-4-propan-2-ylaniline
CID 43101164
4-butyl-N-(1-methoxypropan-2-yl)aniline
CID 62536026
N-(1-chlorobutyl)-4-dodecylaniline
CID 141225879
2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43724019
N-methyl-4-nonadecylaniline
CID 175903606
4-hexadecyl-N-methylaniline
CID 22361119
[(4-heptylanilino)-phosphonomethyl]phosphonic acid
CID 5277463
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869
N-ethyl-4-nonylaniline
CID 154108619

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-2-yl)-4-pentylaniline?
The IUPAC name of N-(3-methylpentan-2-yl)-4-pentylaniline (CID 43103147) is N-(3-methylpentan-2-yl)-4-pentylaniline.
What is the SMILES notation for N-(3-methylpentan-2-yl)-4-pentylaniline?
The canonical SMILES for N-(3-methylpentan-2-yl)-4-pentylaniline is CCCCCc1ccc(NC(C)C(C)CC)cc1.
What is the InChIKey of N-(3-methylpentan-2-yl)-4-pentylaniline?
The InChIKey is KGHQDSFJEZAEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-7-8-9-16-10-12-17(13-11-16)18-15(4)14(3)6-2/h10-15,18H,5-9H2,1-4H3.
What are the key properties of N-(3-methylpentan-2-yl)-4-pentylaniline?
N-(3-methylpentan-2-yl)-4-pentylaniline has a molecular weight of 247.43 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-2-yl)-4-pentylaniline is sourced from PubChem (CID 43103147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).