(1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine

C8H15N — CID 144887209

IUPAC(1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine
SMILESC=CC/C(C)=C\NCC
InChIInChI=1S/C8H15N/c1-4-6-8(3)7-9-5-2/h4,7,9H,1,5-6H2,2-3H3/b8-7-
InChIKeyNVYXCBATFWFDMZ-FPLPWBNLSA-N
MW125.21 g/mol
LogP2.08
Rot. Bonds4

About (1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine

(1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine (PubChem CID 144887209) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine.

Molecular Properties

Compound Name(1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine
PubChem CID144887209
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine
SMILESC=CC/C(C)=C\NCC
InChIInChI=1S/C8H15N/c1-4-6-8(3)7-9-5-2/h4,7,9H,1,5-6H2,2-3H3/b8-7-
InChIKeyNVYXCBATFWFDMZ-FPLPWBNLSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-ethyl-N',2-dimethylprop-1-ene-1,3-diamine
CID 163865379
4,6-dimethylocta-1,4,6-triene
CID 123877249
(3Z)-4-methylhepta-3,6-dien-1-ol
CID 14691517
2-methyl-N-prop-2-enylpent-1-en-1-amine
CID 174914836
(1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine
CID 126710731
(4E,7E)-4,7-dimethylnona-1,4,7-triene
CID 173333591
(4Z)-6-iodo-4-methylhexa-1,4-diene
CID 89280235
(2E)-3-methylhexa-2,5-dienal
CID 88529058
(Z)-4-(ethylamino)-3-methylbut-3-en-2-one
CID 45085246
(5Z)-6-methylnona-5,8-dien-3-ol
CID 59545208
(3Z)-4-methylhepta-3,6-dienoic acid
CID 14197243
3,6-dimethylnona-1,3,5,8-tetraene
CID 90934144

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine?
The IUPAC name of (1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine (CID 144887209) is (1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine.
What is the SMILES notation for (1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine?
The canonical SMILES for (1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine is C=CC/C(C)=C\NCC.
What is the InChIKey of (1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine?
The InChIKey is NVYXCBATFWFDMZ-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H15N/c1-4-6-8(3)7-9-5-2/h4,7,9H,1,5-6H2,2-3H3/b8-7-.
What are the key properties of (1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine?
(1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine has a molecular weight of 125.21 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine is sourced from PubChem (CID 144887209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).