(2E)-N,N-dimethyl-4-[methyl(propan-2-yl)phosphanyl]penta-2,4-dien-1-amine

C11H22NP — CID 174293606

IUPAC(2E)-N,N-dimethyl-4-[methyl(propan-2-yl)phosphanyl]penta-2,4-dien-1-amine
SMILESC=C(/C=C/CN(C)C)P(C)C(C)C
InChIInChI=1S/C11H22NP/c1-10(2)13(6)11(3)8-7-9-12(4)5/h7-8,10H,3,9H2,1-2,4-6H3/b8-7+
InChIKeyADAKZHVZSIOBSJ-BQYQJAHWSA-N
MW199.28 g/mol
LogP3.14
Rot. Bonds5

About (2E)-N,N-dimethyl-4-[methyl(propan-2-yl)phosphanyl]penta-2,4-dien-1-amine

(2E)-N,N-dimethyl-4-[methyl(propan-2-yl)phosphanyl]penta-2,4-dien-1-amine (PubChem CID 174293606) has the molecular formula C11H22NP and a molecular weight of 199.28 g/mol. Its IUPAC name is (2E)-N,N-dimethyl-4-[methyl(propan-2-yl)phosphanyl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-N,N-dimethyl-4-[methyl(propan-2-yl)phosphanyl]penta-2,4-dien-1-amine
PubChem CID174293606
Molecular FormulaC11H22NP
Molecular Weight199.28 g/mol
Exact Mass199.15
IUPAC Name(2E)-N,N-dimethyl-4-[methyl(propan-2-yl)phosphanyl]penta-2,4-dien-1-amine
SMILESC=C(/C=C/CN(C)C)P(C)C(C)C
InChIInChI=1S/C11H22NP/c1-10(2)13(6)11(3)8-7-9-12(4)5/h7-8,10H,3,9H2,1-2,4-6H3/b8-7+
InChIKeyADAKZHVZSIOBSJ-BQYQJAHWSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl (E)-4-(dimethylamino)but-2-enoate
CID 143826764
(E)-6-(dimethylamino)-2-methylhex-4-en-3-one;4-methylpent-1-en-3-one
CID 161106625
2,3-dimethylbutan-2-yl (E)-4-(dimethylamino)but-2-enoate
CID 126513951
(E)-5-(dimethylamino)pent-3-en-2-ol
CID 130122470
(2E)-N,N-dimethyl-4-pyrrolidin-1-ylpenta-2,4-dien-1-amine
CID 142593526
1-methyl-1-[(Z)-5-methyl-4-methylidenehex-2-enyl]hydrazine
CID 155262112
3-(dimethylamino)prop-1-en-1-ol
CID 173098720
(E)-4-(dimethylamino)but-2-enamide;methane
CID 155781638
4-(dimethylamino)but-2-enamide;hydrochloride
CID 175776064
(2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine
CID 139338168
(Z)-1-N,1-N,5-N,5-N-tetramethyl-4-propylidenehept-2-ene-1,5-diamine
CID 138664657
(E)-4-(dimethylamino)-N-propan-2-ylbut-2-enamide;2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide
CID 163774916

Frequently Asked Questions

What is the IUPAC name of (2E)-N,N-dimethyl-4-[methyl(propan-2-yl)phosphanyl]penta-2,4-dien-1-amine?
The IUPAC name of (2E)-N,N-dimethyl-4-[methyl(propan-2-yl)phosphanyl]penta-2,4-dien-1-amine (CID 174293606) is (2E)-N,N-dimethyl-4-[methyl(propan-2-yl)phosphanyl]penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-N,N-dimethyl-4-[methyl(propan-2-yl)phosphanyl]penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-N,N-dimethyl-4-[methyl(propan-2-yl)phosphanyl]penta-2,4-dien-1-amine is C=C(/C=C/CN(C)C)P(C)C(C)C.
What is the InChIKey of (2E)-N,N-dimethyl-4-[methyl(propan-2-yl)phosphanyl]penta-2,4-dien-1-amine?
The InChIKey is ADAKZHVZSIOBSJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H22NP/c1-10(2)13(6)11(3)8-7-9-12(4)5/h7-8,10H,3,9H2,1-2,4-6H3/b8-7+.
What are the key properties of (2E)-N,N-dimethyl-4-[methyl(propan-2-yl)phosphanyl]penta-2,4-dien-1-amine?
(2E)-N,N-dimethyl-4-[methyl(propan-2-yl)phosphanyl]penta-2,4-dien-1-amine has a molecular weight of 199.28 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,N-dimethyl-4-[methyl(propan-2-yl)phosphanyl]penta-2,4-dien-1-amine is sourced from PubChem (CID 174293606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).