(1Z)-2-tert-butyl-3-imino-N,N-dimethylpenta-1,4-dien-1-amine

C11H20N2 — CID 166906464

IUPAC(1Z)-2-tert-butyl-3-imino-N,N-dimethylpenta-1,4-dien-1-amine
SMILES[H]/N=C(C=C)/C(=C\N(C)C)C(C)(C)C
InChIInChI=1S/C11H20N2/c1-7-10(12)9(8-13(5)6)11(2,3)4/h7-8,12H,1H2,2-6H3/b9-8+,12-10+
InChIKeyHKYZCOKXQBVDPD-CDKJVOIVSA-N
MW180.29 g/mol
LogP2.68
Rot. Bonds3

About (1Z)-2-tert-butyl-3-imino-N,N-dimethylpenta-1,4-dien-1-amine

(1Z)-2-tert-butyl-3-imino-N,N-dimethylpenta-1,4-dien-1-amine (PubChem CID 166906464) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (1Z)-2-tert-butyl-3-imino-N,N-dimethylpenta-1,4-dien-1-amine.

Molecular Properties

Compound Name(1Z)-2-tert-butyl-3-imino-N,N-dimethylpenta-1,4-dien-1-amine
PubChem CID166906464
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(1Z)-2-tert-butyl-3-imino-N,N-dimethylpenta-1,4-dien-1-amine
SMILES[H]/N=C(C=C)/C(=C\N(C)C)C(C)(C)C
InChIInChI=1S/C11H20N2/c1-7-10(12)9(8-13(5)6)11(2,3)4/h7-8,12H,1H2,2-6H3/b9-8+,12-10+
InChIKeyHKYZCOKXQBVDPD-CDKJVOIVSA-N
XLogP2.68
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.68
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 (1Z)-2-tert-butyl-3-imino-N,N-dimethylpenta-1,4-dien-1-amine?
The IUPAC name of (1Z)-2-tert-butyl-3-imino-N,N-dimethylpenta-1,4-dien-1-amine (CID 166906464) is (1Z)-2-tert-butyl-3-imino-N,N-dimethylpenta-1,4-dien-1-amine.
What is the SMILES notation for (1Z)-2-tert-butyl-3-imino-N,N-dimethylpenta-1,4-dien-1-amine?
The canonical SMILES for (1Z)-2-tert-butyl-3-imino-N,N-dimethylpenta-1,4-dien-1-amine is [H]/N=C(C=C)/C(=C\N(C)C)C(C)(C)C.
What is the InChIKey of (1Z)-2-tert-butyl-3-imino-N,N-dimethylpenta-1,4-dien-1-amine?
The InChIKey is HKYZCOKXQBVDPD-CDKJVOIVSA-N. The full InChI is InChI=1S/C11H20N2/c1-7-10(12)9(8-13(5)6)11(2,3)4/h7-8,12H,1H2,2-6H3/b9-8+,12-10+.
What are the key properties of (1Z)-2-tert-butyl-3-imino-N,N-dimethylpenta-1,4-dien-1-amine?
(1Z)-2-tert-butyl-3-imino-N,N-dimethylpenta-1,4-dien-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-tert-butyl-3-imino-N,N-dimethylpenta-1,4-dien-1-amine is sourced from PubChem (CID 166906464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).