(3Z)-9-ethyl-7,7-dimethyl-11-methylidene-1,6-diazacycloundec-3-en-8-amine

C14H27N3 — CID 126662981

IUPAC(3Z)-9-ethyl-7,7-dimethyl-11-methylidene-1,6-diazacycloundec-3-en-8-amine
SMILESC=C1CC(CC)C(N)C(C)(C)NC/C=C\CN1
InChIInChI=1S/C14H27N3/c1-5-12-10-11(2)16-8-6-7-9-17-14(3,4)13(12)15/h6-7,12-13,16-17H,2,5,8-10,15H2,1,3-4H3/b7-6-
InChIKeyIYRVZNOONMEXAW-SREVYHEPSA-N
MW237.39 g/mol
LogP1.77
Rot. Bonds1

About (3Z)-9-ethyl-7,7-dimethyl-11-methylidene-1,6-diazacycloundec-3-en-8-amine

(3Z)-9-ethyl-7,7-dimethyl-11-methylidene-1,6-diazacycloundec-3-en-8-amine (PubChem CID 126662981) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (3Z)-9-ethyl-7,7-dimethyl-11-methylidene-1,6-diazacycloundec-3-en-8-amine.

Molecular Properties

Compound Name(3Z)-9-ethyl-7,7-dimethyl-11-methylidene-1,6-diazacycloundec-3-en-8-amine
PubChem CID126662981
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(3Z)-9-ethyl-7,7-dimethyl-11-methylidene-1,6-diazacycloundec-3-en-8-amine
SMILESC=C1CC(CC)C(N)C(C)(C)NC/C=C\CN1
InChIInChI=1S/C14H27N3/c1-5-12-10-11(2)16-8-6-7-9-17-14(3,4)13(12)15/h6-7,12-13,16-17H,2,5,8-10,15H2,1,3-4H3/b7-6-
InChIKeyIYRVZNOONMEXAW-SREVYHEPSA-N
XLogP1.77
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-9-ethyl-7,7-dimethyl-11-methylidene-1,6-diazacycloundec-3-en-8-amine?
The IUPAC name of (3Z)-9-ethyl-7,7-dimethyl-11-methylidene-1,6-diazacycloundec-3-en-8-amine (CID 126662981) is (3Z)-9-ethyl-7,7-dimethyl-11-methylidene-1,6-diazacycloundec-3-en-8-amine.
What is the SMILES notation for (3Z)-9-ethyl-7,7-dimethyl-11-methylidene-1,6-diazacycloundec-3-en-8-amine?
The canonical SMILES for (3Z)-9-ethyl-7,7-dimethyl-11-methylidene-1,6-diazacycloundec-3-en-8-amine is C=C1CC(CC)C(N)C(C)(C)NC/C=C\CN1.
What is the InChIKey of (3Z)-9-ethyl-7,7-dimethyl-11-methylidene-1,6-diazacycloundec-3-en-8-amine?
The InChIKey is IYRVZNOONMEXAW-SREVYHEPSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-12-10-11(2)16-8-6-7-9-17-14(3,4)13(12)15/h6-7,12-13,16-17H,2,5,8-10,15H2,1,3-4H3/b7-6-.
What are the key properties of (3Z)-9-ethyl-7,7-dimethyl-11-methylidene-1,6-diazacycloundec-3-en-8-amine?
(3Z)-9-ethyl-7,7-dimethyl-11-methylidene-1,6-diazacycloundec-3-en-8-amine has a molecular weight of 237.39 g/mol, XLogP of 1.77, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-9-ethyl-7,7-dimethyl-11-methylidene-1,6-diazacycloundec-3-en-8-amine is sourced from PubChem (CID 126662981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).