(Z)-1-[[(2Z)-2-ethylidene-4,4-dimethylpentylidene]amino]-3,3-dimethylbut-1-en-2-amine

C15H28N2 — CID 155455534

IUPAC(Z)-1-[[(2Z)-2-ethylidene-4,4-dimethylpentylidene]amino]-3,3-dimethylbut-1-en-2-amine
SMILESC/C=C(\C=N\C=C(/N)C(C)(C)C)CC(C)(C)C
InChIInChI=1S/C15H28N2/c1-8-12(9-14(2,3)4)10-17-11-13(16)15(5,6)7/h8,10-11H,9,16H2,1-7H3/b12-8-,13-11-,17-10+
InChIKeyAKWQXRXBBCBCDX-MSPWZXLESA-N
MW236.40 g/mol
LogP4.29
Rot. Bonds3

About (Z)-1-[[(2Z)-2-ethylidene-4,4-dimethylpentylidene]amino]-3,3-dimethylbut-1-en-2-amine

(Z)-1-[[(2Z)-2-ethylidene-4,4-dimethylpentylidene]amino]-3,3-dimethylbut-1-en-2-amine (PubChem CID 155455534) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (Z)-1-[[(2Z)-2-ethylidene-4,4-dimethylpentylidene]amino]-3,3-dimethylbut-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[[(2Z)-2-ethylidene-4,4-dimethylpentylidene]amino]-3,3-dimethylbut-1-en-2-amine
PubChem CID155455534
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(Z)-1-[[(2Z)-2-ethylidene-4,4-dimethylpentylidene]amino]-3,3-dimethylbut-1-en-2-amine
SMILESC/C=C(\C=N\C=C(/N)C(C)(C)C)CC(C)(C)C
InChIInChI=1S/C15H28N2/c1-8-12(9-14(2,3)4)10-17-11-13(16)15(5,6)7/h8,10-11H,9,16H2,1-7H3/b12-8-,13-11-,17-10+
InChIKeyAKWQXRXBBCBCDX-MSPWZXLESA-N
XLogP4.29
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[[(2Z)-2-ethylidene-4,4-dimethylpentylidene]amino]-3,3-dimethylbut-1-en-2-amine?
The IUPAC name of (Z)-1-[[(2Z)-2-ethylidene-4,4-dimethylpentylidene]amino]-3,3-dimethylbut-1-en-2-amine (CID 155455534) is (Z)-1-[[(2Z)-2-ethylidene-4,4-dimethylpentylidene]amino]-3,3-dimethylbut-1-en-2-amine.
What is the SMILES notation for (Z)-1-[[(2Z)-2-ethylidene-4,4-dimethylpentylidene]amino]-3,3-dimethylbut-1-en-2-amine?
The canonical SMILES for (Z)-1-[[(2Z)-2-ethylidene-4,4-dimethylpentylidene]amino]-3,3-dimethylbut-1-en-2-amine is C/C=C(\C=N\C=C(/N)C(C)(C)C)CC(C)(C)C.
What is the InChIKey of (Z)-1-[[(2Z)-2-ethylidene-4,4-dimethylpentylidene]amino]-3,3-dimethylbut-1-en-2-amine?
The InChIKey is AKWQXRXBBCBCDX-MSPWZXLESA-N. The full InChI is InChI=1S/C15H28N2/c1-8-12(9-14(2,3)4)10-17-11-13(16)15(5,6)7/h8,10-11H,9,16H2,1-7H3/b12-8-,13-11-,17-10+.
What are the key properties of (Z)-1-[[(2Z)-2-ethylidene-4,4-dimethylpentylidene]amino]-3,3-dimethylbut-1-en-2-amine?
(Z)-1-[[(2Z)-2-ethylidene-4,4-dimethylpentylidene]amino]-3,3-dimethylbut-1-en-2-amine has a molecular weight of 236.40 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[[(2Z)-2-ethylidene-4,4-dimethylpentylidene]amino]-3,3-dimethylbut-1-en-2-amine is sourced from PubChem (CID 155455534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).