(2Z)-6-ethyl-6-methyl-3-(methylaminomethyl)-4-[(Z)-prop-1-enyl]-2-propylidenecyclohex-3-en-1-amine

C17H30N2 — CID 134173718

IUPAC(2Z)-6-ethyl-6-methyl-3-(methylaminomethyl)-4-[(Z)-prop-1-enyl]-2-propylidenecyclohex-3-en-1-amine
SMILESC/C=C\C1=C(CNC)/C(=C/CC)C(N)C(C)(CC)C1
InChIInChI=1S/C17H30N2/c1-6-9-13-11-17(4,8-3)16(18)14(10-7-2)15(13)12-19-5/h6,9-10,16,19H,7-8,11-12,18H2,1-5H3/b9-6-,14-10-
InChIKeySNJWQGXXAAUYOA-LJYMPUJESA-N
MW262.44 g/mol
LogP3.56
Rot. Bonds5

About (2Z)-6-ethyl-6-methyl-3-(methylaminomethyl)-4-[(Z)-prop-1-enyl]-2-propylidenecyclohex-3-en-1-amine

(2Z)-6-ethyl-6-methyl-3-(methylaminomethyl)-4-[(Z)-prop-1-enyl]-2-propylidenecyclohex-3-en-1-amine (PubChem CID 134173718) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is (2Z)-6-ethyl-6-methyl-3-(methylaminomethyl)-4-[(Z)-prop-1-enyl]-2-propylidenecyclohex-3-en-1-amine.

Molecular Properties

Compound Name(2Z)-6-ethyl-6-methyl-3-(methylaminomethyl)-4-[(Z)-prop-1-enyl]-2-propylidenecyclohex-3-en-1-amine
PubChem CID134173718
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name(2Z)-6-ethyl-6-methyl-3-(methylaminomethyl)-4-[(Z)-prop-1-enyl]-2-propylidenecyclohex-3-en-1-amine
SMILESC/C=C\C1=C(CNC)/C(=C/CC)C(N)C(C)(CC)C1
InChIInChI=1S/C17H30N2/c1-6-9-13-11-17(4,8-3)16(18)14(10-7-2)15(13)12-19-5/h6,9-10,16,19H,7-8,11-12,18H2,1-5H3/b9-6-,14-10-
InChIKeySNJWQGXXAAUYOA-LJYMPUJESA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-6-ethyl-6-methyl-3-(methylaminomethyl)-4-[(Z)-prop-1-enyl]-2-propylidenecyclohex-3-en-1-amine?
The IUPAC name of (2Z)-6-ethyl-6-methyl-3-(methylaminomethyl)-4-[(Z)-prop-1-enyl]-2-propylidenecyclohex-3-en-1-amine (CID 134173718) is (2Z)-6-ethyl-6-methyl-3-(methylaminomethyl)-4-[(Z)-prop-1-enyl]-2-propylidenecyclohex-3-en-1-amine.
What is the SMILES notation for (2Z)-6-ethyl-6-methyl-3-(methylaminomethyl)-4-[(Z)-prop-1-enyl]-2-propylidenecyclohex-3-en-1-amine?
The canonical SMILES for (2Z)-6-ethyl-6-methyl-3-(methylaminomethyl)-4-[(Z)-prop-1-enyl]-2-propylidenecyclohex-3-en-1-amine is C/C=C\C1=C(CNC)/C(=C/CC)C(N)C(C)(CC)C1.
What is the InChIKey of (2Z)-6-ethyl-6-methyl-3-(methylaminomethyl)-4-[(Z)-prop-1-enyl]-2-propylidenecyclohex-3-en-1-amine?
The InChIKey is SNJWQGXXAAUYOA-LJYMPUJESA-N. The full InChI is InChI=1S/C17H30N2/c1-6-9-13-11-17(4,8-3)16(18)14(10-7-2)15(13)12-19-5/h6,9-10,16,19H,7-8,11-12,18H2,1-5H3/b9-6-,14-10-.
What are the key properties of (2Z)-6-ethyl-6-methyl-3-(methylaminomethyl)-4-[(Z)-prop-1-enyl]-2-propylidenecyclohex-3-en-1-amine?
(2Z)-6-ethyl-6-methyl-3-(methylaminomethyl)-4-[(Z)-prop-1-enyl]-2-propylidenecyclohex-3-en-1-amine has a molecular weight of 262.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-ethyl-6-methyl-3-(methylaminomethyl)-4-[(Z)-prop-1-enyl]-2-propylidenecyclohex-3-en-1-amine is sourced from PubChem (CID 134173718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).