N,2-dimethyl-N-(2-methylhex-2-en-3-yl)aniline;ethane

C17H29N — CID 142020927

IUPACN,2-dimethyl-N-(2-methylhex-2-en-3-yl)aniline;ethane
SMILESCC.CCCC(=C(C)C)N(C)c1ccccc1C
InChIInChI=1S/C15H23N.C2H6/c1-6-9-14(12(2)3)16(5)15-11-8-7-10-13(15)4;1-2/h7-8,10-11H,6,9H2,1-5H3;1-2H3
InChIKeyKXGFUKLAYOLWDE-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.55
Rot. Bonds4

About N,2-dimethyl-N-(2-methylhex-2-en-3-yl)aniline;ethane

N,2-dimethyl-N-(2-methylhex-2-en-3-yl)aniline;ethane (PubChem CID 142020927) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-methylhex-2-en-3-yl)aniline;ethane.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-methylhex-2-en-3-yl)aniline;ethane
PubChem CID142020927
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN,2-dimethyl-N-(2-methylhex-2-en-3-yl)aniline;ethane
SMILESCC.CCCC(=C(C)C)N(C)c1ccccc1C
InChIInChI=1S/C15H23N.C2H6/c1-6-9-14(12(2)3)16(5)15-11-8-7-10-13(15)4;1-2/h7-8,10-11H,6,9H2,1-5H3;1-2H3
InChIKeyKXGFUKLAYOLWDE-UHFFFAOYSA-N
XLogP5.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-methyl-2-N-(2-methylphenyl)-1-phenylpent-1-ene-1,2-diamine
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methyl-(2-methylphenyl)carbamic acid;pentanoic acid
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hexanoic acid;methyl-(2-methylphenyl)carbamic acid
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3-amino-N-methyl-N-(2-methylphenyl)propanamide
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N,2-dimethyl-N-propylaniline
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2-N-methyl-2-N-(2-methylphenyl)-1-N-propylprop-2-ene-1,2-diamine
CID 166707337
3-butyl-1-methyl-1-(2-methylphenyl)urea
CID 116655391
N-methyl-N-(2-methylphenyl)carbamate
CID 21115000
2-(dimethylamino)-N-methyl-N-(2-methylphenyl)acetamide
CID 21343400
2-amino-N-methyl-N-(2-methylphenyl)acetamide
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1,2-dimethyl-1-(2-methylphenyl)hydrazine;ethane;propane
CID 176660068

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-methylhex-2-en-3-yl)aniline;ethane?
The IUPAC name of N,2-dimethyl-N-(2-methylhex-2-en-3-yl)aniline;ethane (CID 142020927) is N,2-dimethyl-N-(2-methylhex-2-en-3-yl)aniline;ethane.
What is the SMILES notation for N,2-dimethyl-N-(2-methylhex-2-en-3-yl)aniline;ethane?
The canonical SMILES for N,2-dimethyl-N-(2-methylhex-2-en-3-yl)aniline;ethane is CC.CCCC(=C(C)C)N(C)c1ccccc1C.
What is the InChIKey of N,2-dimethyl-N-(2-methylhex-2-en-3-yl)aniline;ethane?
The InChIKey is KXGFUKLAYOLWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C2H6/c1-6-9-14(12(2)3)16(5)15-11-8-7-10-13(15)4;1-2/h7-8,10-11H,6,9H2,1-5H3;1-2H3.
What are the key properties of N,2-dimethyl-N-(2-methylhex-2-en-3-yl)aniline;ethane?
N,2-dimethyl-N-(2-methylhex-2-en-3-yl)aniline;ethane has a molecular weight of 247.43 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-methylhex-2-en-3-yl)aniline;ethane is sourced from PubChem (CID 142020927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).