N,N-diethyl-3-(3-methylcyclohexyl)aniline

C17H27N — CID 21135110

IUPACN,N-diethyl-3-(3-methylcyclohexyl)aniline
SMILESCCN(CC)c1cccc(C2CCCC(C)C2)c1
InChIInChI=1S/C17H27N/c1-4-18(5-2)17-11-7-10-16(13-17)15-9-6-8-14(3)12-15/h7,10-11,13-15H,4-6,8-9,12H2,1-3H3
InChIKeyUPCPTZWDLUYONU-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.83
Rot. Bonds4

About N,N-diethyl-3-(3-methylcyclohexyl)aniline

N,N-diethyl-3-(3-methylcyclohexyl)aniline (PubChem CID 21135110) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N,N-diethyl-3-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound NameN,N-diethyl-3-(3-methylcyclohexyl)aniline
PubChem CID21135110
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN,N-diethyl-3-(3-methylcyclohexyl)aniline
SMILESCCN(CC)c1cccc(C2CCCC(C)C2)c1
InChIInChI=1S/C17H27N/c1-4-18(5-2)17-11-7-10-16(13-17)15-9-6-8-14(3)12-15/h7,10-11,13-15H,4-6,8-9,12H2,1-3H3
InChIKeyUPCPTZWDLUYONU-UHFFFAOYSA-N
XLogP4.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(3-methylcyclohexyl)aniline?
The IUPAC name of N,N-diethyl-3-(3-methylcyclohexyl)aniline (CID 21135110) is N,N-diethyl-3-(3-methylcyclohexyl)aniline.
What is the SMILES notation for N,N-diethyl-3-(3-methylcyclohexyl)aniline?
The canonical SMILES for N,N-diethyl-3-(3-methylcyclohexyl)aniline is CCN(CC)c1cccc(C2CCCC(C)C2)c1.
What is the InChIKey of N,N-diethyl-3-(3-methylcyclohexyl)aniline?
The InChIKey is UPCPTZWDLUYONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-18(5-2)17-11-7-10-16(13-17)15-9-6-8-14(3)12-15/h7,10-11,13-15H,4-6,8-9,12H2,1-3H3.
What are the key properties of N,N-diethyl-3-(3-methylcyclohexyl)aniline?
N,N-diethyl-3-(3-methylcyclohexyl)aniline has a molecular weight of 245.41 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 21135110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).