(Z,3R)-N-ethyl-N-methyl-7-methylidene-3-propan-2-ylnon-5-en-1-amine

C16H31N — CID 156544400

IUPAC(Z,3R)-N-ethyl-N-methyl-7-methylidene-3-propan-2-ylnon-5-en-1-amine
SMILESC=C(/C=C\CC(CCN(C)CC)C(C)C)CC
InChIInChI=1S/C16H31N/c1-7-15(5)10-9-11-16(14(3)4)12-13-17(6)8-2/h9-10,14,16H,5,7-8,11-13H2,1-4,6H3/b10-9-
InChIKeyCEINBHNGQCQYRQ-KTKRTIGZSA-N
MW237.43 g/mol
LogP4.51
Rot. Bonds9

About (Z,3R)-N-ethyl-N-methyl-7-methylidene-3-propan-2-ylnon-5-en-1-amine

(Z,3R)-N-ethyl-N-methyl-7-methylidene-3-propan-2-ylnon-5-en-1-amine (PubChem CID 156544400) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is (Z,3R)-N-ethyl-N-methyl-7-methylidene-3-propan-2-ylnon-5-en-1-amine.

Molecular Properties

Compound Name(Z,3R)-N-ethyl-N-methyl-7-methylidene-3-propan-2-ylnon-5-en-1-amine
PubChem CID156544400
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name(Z,3R)-N-ethyl-N-methyl-7-methylidene-3-propan-2-ylnon-5-en-1-amine
SMILESC=C(/C=C\CC(CCN(C)CC)C(C)C)CC
InChIInChI=1S/C16H31N/c1-7-15(5)10-9-11-16(14(3)4)12-13-17(6)8-2/h9-10,14,16H,5,7-8,11-13H2,1-4,6H3/b10-9-
InChIKeyCEINBHNGQCQYRQ-KTKRTIGZSA-N
XLogP4.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,3R)-N-ethyl-N-methyl-7-methylidene-3-propan-2-ylnon-5-en-1-amine?
The IUPAC name of (Z,3R)-N-ethyl-N-methyl-7-methylidene-3-propan-2-ylnon-5-en-1-amine (CID 156544400) is (Z,3R)-N-ethyl-N-methyl-7-methylidene-3-propan-2-ylnon-5-en-1-amine.
What is the SMILES notation for (Z,3R)-N-ethyl-N-methyl-7-methylidene-3-propan-2-ylnon-5-en-1-amine?
The canonical SMILES for (Z,3R)-N-ethyl-N-methyl-7-methylidene-3-propan-2-ylnon-5-en-1-amine is C=C(/C=C\CC(CCN(C)CC)C(C)C)CC.
What is the InChIKey of (Z,3R)-N-ethyl-N-methyl-7-methylidene-3-propan-2-ylnon-5-en-1-amine?
The InChIKey is CEINBHNGQCQYRQ-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H31N/c1-7-15(5)10-9-11-16(14(3)4)12-13-17(6)8-2/h9-10,14,16H,5,7-8,11-13H2,1-4,6H3/b10-9-.
What are the key properties of (Z,3R)-N-ethyl-N-methyl-7-methylidene-3-propan-2-ylnon-5-en-1-amine?
(Z,3R)-N-ethyl-N-methyl-7-methylidene-3-propan-2-ylnon-5-en-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-N-ethyl-N-methyl-7-methylidene-3-propan-2-ylnon-5-en-1-amine is sourced from PubChem (CID 156544400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).