N-hexan-2-yl-N-propylaniline

C15H25N — CID 54357467

IUPACN-hexan-2-yl-N-propylaniline
SMILESCCCCC(C)N(CCC)c1ccccc1
InChIInChI=1S/C15H25N/c1-4-6-10-14(3)16(13-5-2)15-11-8-7-9-12-15/h7-9,11-12,14H,4-6,10,13H2,1-3H3
InChIKeyUKCONUGOYBJQED-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.48
Rot. Bonds7

About N-hexan-2-yl-N-propylaniline

N-hexan-2-yl-N-propylaniline (PubChem CID 54357467) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-hexan-2-yl-N-propylaniline.

Molecular Properties

Compound NameN-hexan-2-yl-N-propylaniline
PubChem CID54357467
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-hexan-2-yl-N-propylaniline
SMILESCCCCC(C)N(CCC)c1ccccc1
InChIInChI=1S/C15H25N/c1-4-6-10-14(3)16(13-5-2)15-11-8-7-9-12-15/h7-9,11-12,14H,4-6,10,13H2,1-3H3
InChIKeyUKCONUGOYBJQED-UHFFFAOYSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N'-pentan-2-yl-N'-phenylpropane-1,3-diamine
CID 107895596
2-[hexan-2-yl(propyl)amino]phenol
CID 54465777
N-(3-methylheptyl)-N-propylaniline
CID 67790396
N-butyl-N-[1-(2-propan-2-ylphenoxy)ethyl]aniline
CID 70632939
2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine
CID 116501784
N,N-dibutylbutan-1-amine;N,N-dimethylaniline
CID 19354348
N-butyl-N-(2-methylpentyl)aniline
CID 23123551
N-butyl-N-[1-(4-methylphenoxy)ethyl]aniline
CID 70632750
(2S)-2-(N-octylanilino)propanamide
CID 138373855
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
N-decan-2-yl-N-(piperidin-2-ylmethyl)aniline
CID 151260872
N-[3-(1-benzylpiperidin-2-yl)propyl]-N-decan-2-ylaniline
CID 150875630

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-N-propylaniline?
The IUPAC name of N-hexan-2-yl-N-propylaniline (CID 54357467) is N-hexan-2-yl-N-propylaniline.
What is the SMILES notation for N-hexan-2-yl-N-propylaniline?
The canonical SMILES for N-hexan-2-yl-N-propylaniline is CCCCC(C)N(CCC)c1ccccc1.
What is the InChIKey of N-hexan-2-yl-N-propylaniline?
The InChIKey is UKCONUGOYBJQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-6-10-14(3)16(13-5-2)15-11-8-7-9-12-15/h7-9,11-12,14H,4-6,10,13H2,1-3H3.
What are the key properties of N-hexan-2-yl-N-propylaniline?
N-hexan-2-yl-N-propylaniline has a molecular weight of 219.37 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-N-propylaniline is sourced from PubChem (CID 54357467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).