N-[2-(azocan-1-yl)propyl]aniline

C16H26N2 — CID 62558695

IUPACN-[2-(azocan-1-yl)propyl]aniline
SMILESCC(CNc1ccccc1)N1CCCCCCC1
InChIInChI=1S/C16H26N2/c1-15(14-17-16-10-6-5-7-11-16)18-12-8-3-2-4-9-13-18/h5-7,10-11,15,17H,2-4,8-9,12-14H2,1H3
InChIKeyGZZBCELVAMLNKL-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.75
Rot. Bonds4

About N-[2-(azocan-1-yl)propyl]aniline

N-[2-(azocan-1-yl)propyl]aniline (PubChem CID 62558695) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[2-(azocan-1-yl)propyl]aniline.

Molecular Properties

Compound NameN-[2-(azocan-1-yl)propyl]aniline
PubChem CID62558695
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[2-(azocan-1-yl)propyl]aniline
SMILESCC(CNc1ccccc1)N1CCCCCCC1
InChIInChI=1S/C16H26N2/c1-15(14-17-16-10-6-5-7-11-16)18-12-8-3-2-4-9-13-18/h5-7,10-11,15,17H,2-4,8-9,12-14H2,1H3
InChIKeyGZZBCELVAMLNKL-UHFFFAOYSA-N
XLogP3.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4,4-dimethylpiperidin-1-yl)propyl]aniline
CID 62930831
2-anilino-N-(2-piperidin-1-ylpropyl)acetamide
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N-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline
CID 63503555
N-[2-(4,4-diethylpiperidin-1-yl)propyl]aniline
CID 63503487
1-(1-anilinopropan-2-yl)-N,N-dimethylpiperidin-4-amine
CID 55089337
3-(2-pyrrolidin-1-ylpropylamino)benzoic acid
CID 102823229
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline
CID 104961099
4-(2-piperidin-1-ylpropylamino)benzenesulfonamide
CID 61017318
(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine
CID 113367725
N-(2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 61017565
2-methyl-N-(2-piperidin-1-ylpropyl)pyridin-4-amine
CID 113482571

Frequently Asked Questions

What is the IUPAC name of N-[2-(azocan-1-yl)propyl]aniline?
The IUPAC name of N-[2-(azocan-1-yl)propyl]aniline (CID 62558695) is N-[2-(azocan-1-yl)propyl]aniline.
What is the SMILES notation for N-[2-(azocan-1-yl)propyl]aniline?
The canonical SMILES for N-[2-(azocan-1-yl)propyl]aniline is CC(CNc1ccccc1)N1CCCCCCC1.
What is the InChIKey of N-[2-(azocan-1-yl)propyl]aniline?
The InChIKey is GZZBCELVAMLNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-15(14-17-16-10-6-5-7-11-16)18-12-8-3-2-4-9-13-18/h5-7,10-11,15,17H,2-4,8-9,12-14H2,1H3.
What are the key properties of N-[2-(azocan-1-yl)propyl]aniline?
N-[2-(azocan-1-yl)propyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azocan-1-yl)propyl]aniline is sourced from PubChem (CID 62558695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).