N-(azocan-2-ylmethyl)-N-ethylaniline

C16H26N2 — CID 114240324

IUPACN-(azocan-2-ylmethyl)-N-ethylaniline
SMILESCCN(CC1CCCCCCN1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-2-18(16-11-7-5-8-12-16)14-15-10-6-3-4-9-13-17-15/h5,7-8,11-12,15,17H,2-4,6,9-10,13-14H2,1H3
InChIKeyBSWAGIPEEYVKAD-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.44
Rot. Bonds4

About N-(azocan-2-ylmethyl)-N-ethylaniline

N-(azocan-2-ylmethyl)-N-ethylaniline (PubChem CID 114240324) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(azocan-2-ylmethyl)-N-ethylaniline.

Molecular Properties

Compound NameN-(azocan-2-ylmethyl)-N-ethylaniline
PubChem CID114240324
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(azocan-2-ylmethyl)-N-ethylaniline
SMILESCCN(CC1CCCCCCN1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-2-18(16-11-7-5-8-12-16)14-15-10-6-3-4-9-13-17-15/h5,7-8,11-12,15,17H,2-4,6,9-10,13-14H2,1H3
InChIKeyBSWAGIPEEYVKAD-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline
CID 112736831
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N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 28598067
N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 69019447
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
N-ethyl-2-fluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 102819482
N-ethyl-N-(piperidin-2-ylmethyl)quinazolin-2-amine
CID 106641730
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
N-decan-2-yl-N-(piperidin-2-ylmethyl)aniline
CID 151260872
4-(difluoromethylsulfonyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619501
5-bromo-N-ethyl-6-methyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
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CID 80567470

Frequently Asked Questions

What is the IUPAC name of N-(azocan-2-ylmethyl)-N-ethylaniline?
The IUPAC name of N-(azocan-2-ylmethyl)-N-ethylaniline (CID 114240324) is N-(azocan-2-ylmethyl)-N-ethylaniline.
What is the SMILES notation for N-(azocan-2-ylmethyl)-N-ethylaniline?
The canonical SMILES for N-(azocan-2-ylmethyl)-N-ethylaniline is CCN(CC1CCCCCCN1)c1ccccc1.
What is the InChIKey of N-(azocan-2-ylmethyl)-N-ethylaniline?
The InChIKey is BSWAGIPEEYVKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-18(16-11-7-5-8-12-16)14-15-10-6-3-4-9-13-17-15/h5,7-8,11-12,15,17H,2-4,6,9-10,13-14H2,1H3.
What are the key properties of N-(azocan-2-ylmethyl)-N-ethylaniline?
N-(azocan-2-ylmethyl)-N-ethylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azocan-2-ylmethyl)-N-ethylaniline is sourced from PubChem (CID 114240324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).