(2E)-N,2-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-amine;ethane

C12H21N — CID 145095517

IUPAC(2E)-N,2-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-amine;ethane
SMILESC#CCN(C)C/C(C)=C/C=C.CC
InChIInChI=1S/C10H15N.C2H6/c1-5-7-10(3)9-11(4)8-6-2;1-2/h2,5,7H,1,8-9H2,3-4H3;1-2H3/b10-7+;
InChIKeyFOEUSXWRXVYDPZ-HCUGZAAXSA-N
MW179.31 g/mol
LogP2.71
Rot. Bonds4

About (2E)-N,2-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-amine;ethane

(2E)-N,2-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-amine;ethane (PubChem CID 145095517) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (2E)-N,2-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-amine;ethane.

Molecular Properties

Compound Name(2E)-N,2-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-amine;ethane
PubChem CID145095517
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(2E)-N,2-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-amine;ethane
SMILESC#CCN(C)C/C(C)=C/C=C.CC
InChIInChI=1S/C10H15N.C2H6/c1-5-7-10(3)9-11(4)8-6-2;1-2/h2,5,7H,1,8-9H2,3-4H3;1-2H3/b10-7+;
InChIKeyFOEUSXWRXVYDPZ-HCUGZAAXSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-N,2-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-amine;ethane with MolForge

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Related Compounds

N-[(E)-but-2-enyl]-N,2-dimethylbut-3-yn-1-amine
CID 11030010
4-Methyl-N,N-dipropylpent-3-en-1-yn-1-amine
CID 12572151
N-[(Z)-but-2-enyl]-N,2-dimethylbut-3-yn-1-amine
CID 21592938
N,N,2-trimethyl-N-(prop-2-yn-1-yl)prop-2-en-1-aminium
CID 1388069
(2E)-N,N,2-trimethylpenta-2,4-dien-1-amine
CID 12628256
(2E,4Z)-N,N,2-trimethylhexa-2,4-dien-1-amine
CID 53769376
N,N,2-trimethylpenta-2,4-dien-1-amine
CID 85238651
2-methyl-N,N-bis(prop-2-enyl)but-2-en-1-amine
CID 87439385
(2E,4Z)-N-ethyl-N,2-dimethylhexa-2,4-dien-1-amine
CID 89370986
(E)-N-ethyl-N,2-dimethylpent-2-en-4-yn-1-amine
CID 89371967
(2E)-2-ethenyl-N-ethyl-N-methylpenta-2,4-dien-1-amine
CID 90293253
N-ethyl-N,2-dimethylocta-2,4,6-trien-1-amine
CID 123562970

Frequently Asked Questions

What is the IUPAC name of (2E)-N,2-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-amine;ethane?
The IUPAC name of (2E)-N,2-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-amine;ethane (CID 145095517) is (2E)-N,2-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-amine;ethane.
What is the SMILES notation for (2E)-N,2-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-amine;ethane?
The canonical SMILES for (2E)-N,2-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-amine;ethane is C#CCN(C)C/C(C)=C/C=C.CC.
What is the InChIKey of (2E)-N,2-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-amine;ethane?
The InChIKey is FOEUSXWRXVYDPZ-HCUGZAAXSA-N. The full InChI is InChI=1S/C10H15N.C2H6/c1-5-7-10(3)9-11(4)8-6-2;1-2/h2,5,7H,1,8-9H2,3-4H3;1-2H3/b10-7+;.
What are the key properties of (2E)-N,2-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-amine;ethane?
(2E)-N,2-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-amine;ethane has a molecular weight of 179.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,2-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-amine;ethane is sourced from PubChem (CID 145095517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).