N-ethyl-N-prop-1-en-2-ylpropan-2-amine

C8H17N — CID 12556468

IUPACN-ethyl-N-prop-1-en-2-ylpropan-2-amine
SMILESC=C(C)N(CC)C(C)C
InChIInChI=1S/C8H17N/c1-6-9(7(2)3)8(4)5/h8H,2,6H2,1,3-5H3
InChIKeyJJJACYPXUYTSRO-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.25
Rot. Bonds3

About N-ethyl-N-prop-1-en-2-ylpropan-2-amine

N-ethyl-N-prop-1-en-2-ylpropan-2-amine (PubChem CID 12556468) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-ethyl-N-prop-1-en-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-prop-1-en-2-ylpropan-2-amine
PubChem CID12556468
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-ethyl-N-prop-1-en-2-ylpropan-2-amine
SMILESC=C(C)N(CC)C(C)C
InChIInChI=1S/C8H17N/c1-6-9(7(2)3)8(4)5/h8H,2,6H2,1,3-5H3
InChIKeyJJJACYPXUYTSRO-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-propyli-propenylamine
CID 58183829
1-fluoro-N-prop-1-en-2-yl-N-propylpentan-2-amine
CID 155699877
N-diethylboranyl-N-prop-1-en-2-ylpropan-2-amine
CID 12713306
(E)-N,N-di(propan-2-yl)prop-1-en-1-amine
CID 45087879
Triethyl(prop-1-en-2-yl)azanium
CID 10855058
N-methyl-N-prop-1-en-2-ylpropan-2-amine
CID 12556472
N,N-Diethylprop-1-en-2-amine
CID 12570651
N-ethyl-N-methylprop-1-en-2-amine
CID 19350350
N-prop-1-en-2-yl-N-propylpropan-1-amine
CID 19350351
(E)-N,N-diethylbut-2-en-2-amine
CID 21721349
But-1-en-2-yl(triethyl)azanium
CID 22247086
N-methyl-N-prop-1-en-2-ylprop-1-en-2-amine
CID 23150838

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-prop-1-en-2-ylpropan-2-amine?
The IUPAC name of N-ethyl-N-prop-1-en-2-ylpropan-2-amine (CID 12556468) is N-ethyl-N-prop-1-en-2-ylpropan-2-amine.
What is the SMILES notation for N-ethyl-N-prop-1-en-2-ylpropan-2-amine?
The canonical SMILES for N-ethyl-N-prop-1-en-2-ylpropan-2-amine is C=C(C)N(CC)C(C)C.
What is the InChIKey of N-ethyl-N-prop-1-en-2-ylpropan-2-amine?
The InChIKey is JJJACYPXUYTSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-6-9(7(2)3)8(4)5/h8H,2,6H2,1,3-5H3.
What are the key properties of N-ethyl-N-prop-1-en-2-ylpropan-2-amine?
N-ethyl-N-prop-1-en-2-ylpropan-2-amine has a molecular weight of 127.23 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-1-en-2-ylpropan-2-amine is sourced from PubChem (CID 12556468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).