(1Z)-2-N-(1-cyclobutylethyl)-3-methylbuta-1,3-diene-1,2-diamine

C11H20N2 — CID 129215624

IUPAC(1Z)-2-N-(1-cyclobutylethyl)-3-methylbuta-1,3-diene-1,2-diamine
SMILESC=C(C)/C(=C/N)NC(C)C1CCC1
InChIInChI=1S/C11H20N2/c1-8(2)11(7-12)13-9(3)10-5-4-6-10/h7,9-10,13H,1,4-6,12H2,2-3H3/b11-7-
InChIKeyFFDAJXWJNNNCHH-XFFZJAGNSA-N
MW180.29 g/mol
LogP2.14
Rot. Bonds4

About (1Z)-2-N-(1-cyclobutylethyl)-3-methylbuta-1,3-diene-1,2-diamine

(1Z)-2-N-(1-cyclobutylethyl)-3-methylbuta-1,3-diene-1,2-diamine (PubChem CID 129215624) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (1Z)-2-N-(1-cyclobutylethyl)-3-methylbuta-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name(1Z)-2-N-(1-cyclobutylethyl)-3-methylbuta-1,3-diene-1,2-diamine
PubChem CID129215624
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(1Z)-2-N-(1-cyclobutylethyl)-3-methylbuta-1,3-diene-1,2-diamine
SMILESC=C(C)/C(=C/N)NC(C)C1CCC1
InChIInChI=1S/C11H20N2/c1-8(2)11(7-12)13-9(3)10-5-4-6-10/h7,9-10,13H,1,4-6,12H2,2-3H3/b11-7-
InChIKeyFFDAJXWJNNNCHH-XFFZJAGNSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-N-(1-cyclobutylethyl)-3-methylbuta-1,3-diene-1,2-diamine?
The IUPAC name of (1Z)-2-N-(1-cyclobutylethyl)-3-methylbuta-1,3-diene-1,2-diamine (CID 129215624) is (1Z)-2-N-(1-cyclobutylethyl)-3-methylbuta-1,3-diene-1,2-diamine.
What is the SMILES notation for (1Z)-2-N-(1-cyclobutylethyl)-3-methylbuta-1,3-diene-1,2-diamine?
The canonical SMILES for (1Z)-2-N-(1-cyclobutylethyl)-3-methylbuta-1,3-diene-1,2-diamine is C=C(C)/C(=C/N)NC(C)C1CCC1.
What is the InChIKey of (1Z)-2-N-(1-cyclobutylethyl)-3-methylbuta-1,3-diene-1,2-diamine?
The InChIKey is FFDAJXWJNNNCHH-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)11(7-12)13-9(3)10-5-4-6-10/h7,9-10,13H,1,4-6,12H2,2-3H3/b11-7-.
What are the key properties of (1Z)-2-N-(1-cyclobutylethyl)-3-methylbuta-1,3-diene-1,2-diamine?
(1Z)-2-N-(1-cyclobutylethyl)-3-methylbuta-1,3-diene-1,2-diamine has a molecular weight of 180.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-N-(1-cyclobutylethyl)-3-methylbuta-1,3-diene-1,2-diamine is sourced from PubChem (CID 129215624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).