ethane;N-prop-1-en-2-ylpropan-2-amine

C8H19N — CID 143917378

IUPACethane;N-prop-1-en-2-ylpropan-2-amine
SMILESC=C(C)NC(C)C.CC
InChIInChI=1S/C6H13N.C2H6/c1-5(2)7-6(3)4;1-2/h6-7H,1H2,2-4H3;1-2H3
InChIKeyISZTWOVVPKGUQZ-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.54
Rot. Bonds2

About ethane;N-prop-1-en-2-ylpropan-2-amine

ethane;N-prop-1-en-2-ylpropan-2-amine (PubChem CID 143917378) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is ethane;N-prop-1-en-2-ylpropan-2-amine.

Molecular Properties

Compound Nameethane;N-prop-1-en-2-ylpropan-2-amine
PubChem CID143917378
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Nameethane;N-prop-1-en-2-ylpropan-2-amine
SMILESC=C(C)NC(C)C.CC
InChIInChI=1S/C6H13N.C2H6/c1-5(2)7-6(3)4;1-2/h6-7H,1H2,2-4H3;1-2H3
InChIKeyISZTWOVVPKGUQZ-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(prop-1-en-2-ylamino)ethylboronic acid
CID 90184391
4-methyl-N-propan-2-yl-2-(prop-1-en-2-ylamino)pentanethioamide
CID 155214517
2,4,5-trimethyl-N-prop-1-en-2-ylhexan-3-amine
CID 129263487
3-methyl-N-propan-2-ylbut-3-enamide
CID 59532905
5-methyl-N-prop-1-en-2-ylhex-5-en-2-amine
CID 143351976
2-N-methyl-5-N-prop-1-en-2-ylhexane-2,5-diamine
CID 89305259
ethane;N-(1-phenylethyl)prop-1-en-2-amine
CID 142973313
4,4-dimethyl-N-prop-1-en-2-ylpentan-2-amine
CID 129049369
ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine
CID 142520948
4-methyl-2-methylidene-3-oxo-N-propan-2-ylpent-4-enamide
CID 170550379
(3R)-3-(prop-1-en-2-ylamino)butanenitrile
CID 177367987
(3E)-N-propan-2-ylpenta-1,3-dien-2-amine
CID 126549325

Frequently Asked Questions

What is the IUPAC name of ethane;N-prop-1-en-2-ylpropan-2-amine?
The IUPAC name of ethane;N-prop-1-en-2-ylpropan-2-amine (CID 143917378) is ethane;N-prop-1-en-2-ylpropan-2-amine.
What is the SMILES notation for ethane;N-prop-1-en-2-ylpropan-2-amine?
The canonical SMILES for ethane;N-prop-1-en-2-ylpropan-2-amine is C=C(C)NC(C)C.CC.
What is the InChIKey of ethane;N-prop-1-en-2-ylpropan-2-amine?
The InChIKey is ISZTWOVVPKGUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C2H6/c1-5(2)7-6(3)4;1-2/h6-7H,1H2,2-4H3;1-2H3.
What are the key properties of ethane;N-prop-1-en-2-ylpropan-2-amine?
ethane;N-prop-1-en-2-ylpropan-2-amine has a molecular weight of 129.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-prop-1-en-2-ylpropan-2-amine is sourced from PubChem (CID 143917378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).