(2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine

C10H17N — CID 139250146

IUPAC(2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine
SMILESC=C(C)/C=C/CNCC(=C)C
InChIInChI=1S/C10H17N/c1-9(2)6-5-7-11-8-10(3)4/h5-6,11H,1,3,7-8H2,2,4H3/b6-5+
InChIKeyDAAMJCDUPDICFQ-AATRIKPKSA-N
MW151.25 g/mol
LogP2.28
Rot. Bonds5

About (2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine

(2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine (PubChem CID 139250146) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine
PubChem CID139250146
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine
SMILESC=C(C)/C=C/CNCC(=C)C
InChIInChI=1S/C10H17N/c1-9(2)6-5-7-11-8-10(3)4/h5-6,11H,1,3,7-8H2,2,4H3/b6-5+
InChIKeyDAAMJCDUPDICFQ-AATRIKPKSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
CID 88779532
2-methyl-N-(3-phenylprop-2-enyl)prop-2-en-1-amine
CID 70585759
(2-methylprop-2-enylamino)methanol
CID 19091971
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
ethene;N-[(2Z)-4-methylpenta-2,4-dienyl]propanamide
CID 143184494
(3E)-5-fluoro-2-methylpenta-1,3-diene
CID 54095887
N-(2-methylprop-2-enyl)hept-6-en-1-amine
CID 107007189
(3Z,5Z)-2-methylnona-1,3,5,8-tetraene
CID 144596669
(3E)-2-methylhepta-1,3-diene
CID 12928201
2-(2-methylprop-2-enylamino)ethanol
CID 19100967
2-methylhepta-1,3-diene
CID 54310621
(E)-4-(2-chloroprop-2-enylamino)but-2-enoic acid
CID 103263935

Frequently Asked Questions

What is the IUPAC name of (2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine?
The IUPAC name of (2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine (CID 139250146) is (2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine is C=C(C)/C=C/CNCC(=C)C.
What is the InChIKey of (2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine?
The InChIKey is DAAMJCDUPDICFQ-AATRIKPKSA-N. The full InChI is InChI=1S/C10H17N/c1-9(2)6-5-7-11-8-10(3)4/h5-6,11H,1,3,7-8H2,2,4H3/b6-5+.
What are the key properties of (2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine?
(2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine is sourced from PubChem (CID 139250146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).