N,2-dimethyl-N-propa-1,2-dienylprop-1-en-1-amine

C8H13N — CID 90731047

IUPACN,2-dimethyl-N-propa-1,2-dienylprop-1-en-1-amine
SMILESC=C=CN(C)C=C(C)C
InChIInChI=1S/C8H13N/c1-5-6-9(4)7-8(2)3/h6-7H,1H2,2-4H3
InChIKeyRUEYUUICWSRAGF-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.14
Rot. Bonds2

About N,2-dimethyl-N-propa-1,2-dienylprop-1-en-1-amine

N,2-dimethyl-N-propa-1,2-dienylprop-1-en-1-amine (PubChem CID 90731047) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N,2-dimethyl-N-propa-1,2-dienylprop-1-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-propa-1,2-dienylprop-1-en-1-amine
PubChem CID90731047
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN,2-dimethyl-N-propa-1,2-dienylprop-1-en-1-amine
SMILESC=C=CN(C)C=C(C)C
InChIInChI=1S/C8H13N/c1-5-6-9(4)7-8(2)3/h6-7H,1H2,2-4H3
InChIKeyRUEYUUICWSRAGF-UHFFFAOYSA-N
XLogP2.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N,N-Diethyl-2-methylprop-1-en-1-amine
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2-methyl-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)propan-1-amine
CID 13416721
N,2-dimethyl-N-prop-2-enylprop-1-en-1-amine
CID 45087234
2-ethyl-N,N-dimethylbut-1-en-1-amine
CID 101374933
Isocrotyltrimethylammoniumchlorid
CID 129641693
N,N,4-trimethylpenta-1,2,3-trien-1-amine
CID 12779716
N,N-diethyl-4-methylpenta-1,2,3-trien-1-amine
CID 12779717
(Z)-N,N,2-trimethylbut-1-en-1-amine
CID 12816149
Diethylaminobutatriene
CID 12840187

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-propa-1,2-dienylprop-1-en-1-amine?
The IUPAC name of N,2-dimethyl-N-propa-1,2-dienylprop-1-en-1-amine (CID 90731047) is N,2-dimethyl-N-propa-1,2-dienylprop-1-en-1-amine.
What is the SMILES notation for N,2-dimethyl-N-propa-1,2-dienylprop-1-en-1-amine?
The canonical SMILES for N,2-dimethyl-N-propa-1,2-dienylprop-1-en-1-amine is C=C=CN(C)C=C(C)C.
What is the InChIKey of N,2-dimethyl-N-propa-1,2-dienylprop-1-en-1-amine?
The InChIKey is RUEYUUICWSRAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-5-6-9(4)7-8(2)3/h6-7H,1H2,2-4H3.
What are the key properties of N,2-dimethyl-N-propa-1,2-dienylprop-1-en-1-amine?
N,2-dimethyl-N-propa-1,2-dienylprop-1-en-1-amine has a molecular weight of 123.20 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-propa-1,2-dienylprop-1-en-1-amine is sourced from PubChem (CID 90731047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).