N-methyl-1-(2-propan-2-yl-2H-azet-3-ylidene)prop-2-en-1-amine

C10H16N2 — CID 170204636

IUPACN-methyl-1-(2-propan-2-yl-2H-azet-3-ylidene)prop-2-en-1-amine
SMILESC=CC(NC)=C1C=NC1C(C)C
InChIInChI=1S/C10H16N2/c1-5-9(11-4)8-6-12-10(8)7(2)3/h5-7,10-11H,1H2,2-4H3
InChIKeyLGNRRIYALQCEJZ-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.75
Rot. Bonds3

About N-methyl-1-(2-propan-2-yl-2H-azet-3-ylidene)prop-2-en-1-amine

N-methyl-1-(2-propan-2-yl-2H-azet-3-ylidene)prop-2-en-1-amine (PubChem CID 170204636) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-methyl-1-(2-propan-2-yl-2H-azet-3-ylidene)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-propan-2-yl-2H-azet-3-ylidene)prop-2-en-1-amine
PubChem CID170204636
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-methyl-1-(2-propan-2-yl-2H-azet-3-ylidene)prop-2-en-1-amine
SMILESC=CC(NC)=C1C=NC1C(C)C
InChIInChI=1S/C10H16N2/c1-5-9(11-4)8-6-12-10(8)7(2)3/h5-7,10-11H,1H2,2-4H3
InChIKeyLGNRRIYALQCEJZ-UHFFFAOYSA-N
XLogP1.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z)-5,6-bis(ethenyl)-N-methyl-4-(methyliminomethyl)octa-1,3,5,7-tetraen-3-amine
CID 132046352
1-[(E)-6-methyl-2-[(Z)-prop-1-enyl]hept-2-enyl]iminopropan-2-amine
CID 137535676
(3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine
CID 146359455
(2Z,5S,7Z)-N,3,5-trimethyl-6-methylidene-4-(methylideneamino)nona-2,7-dien-2-amine
CID 159382480
N,3-dimethyl-2-(propan-2-yliminomethyl)cyclohexa-1,5-dien-1-amine
CID 169620730
(1E,3Z)-4-N,2-dimethyl-3-[(2R)-4-methyliminobutan-2-yl]hexa-1,3,5-triene-1,4-diamine
CID 173762686
(2Z,6Z)-N-methyl-5-(methyliminomethyl)octa-2,4,6-trien-4-amine
CID 173822577
(6E)-2-N,4-N,3-trimethyl-5-(methyliminomethyl)nona-4,6-diene-2,4-diamine
CID 174024920
(3Z,5Z)-4-methyl-7-[(3Z,5E)-7-methylidene-8-(2H-pyrrol-4-yl)-1,2-dihydroazonin-5-yl]octa-3,5-dien-3-amine
CID 174089843
5-(3,3-dimethylcyclobutyl)imino-N-[(3Z)-hexa-1,3-dien-2-yl]-4-methyl-2-(2-methylpropyl)penta-1,3-dien-1-amine
CID 174092895
(2E,4E)-N-methyl-5-[[(Z)-prop-1-enyl]iminomethyl]octa-2,4-dien-3-amine
CID 178138423
(2Z,4E,6R)-3-ethenyl-4,6-dimethyl-5-(methyliminomethyl)octa-2,4-dien-2-amine
CID 163302759

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propan-2-yl-2H-azet-3-ylidene)prop-2-en-1-amine?
The IUPAC name of N-methyl-1-(2-propan-2-yl-2H-azet-3-ylidene)prop-2-en-1-amine (CID 170204636) is N-methyl-1-(2-propan-2-yl-2H-azet-3-ylidene)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-1-(2-propan-2-yl-2H-azet-3-ylidene)prop-2-en-1-amine?
The canonical SMILES for N-methyl-1-(2-propan-2-yl-2H-azet-3-ylidene)prop-2-en-1-amine is C=CC(NC)=C1C=NC1C(C)C.
What is the InChIKey of N-methyl-1-(2-propan-2-yl-2H-azet-3-ylidene)prop-2-en-1-amine?
The InChIKey is LGNRRIYALQCEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-9(11-4)8-6-12-10(8)7(2)3/h5-7,10-11H,1H2,2-4H3.
What are the key properties of N-methyl-1-(2-propan-2-yl-2H-azet-3-ylidene)prop-2-en-1-amine?
N-methyl-1-(2-propan-2-yl-2H-azet-3-ylidene)prop-2-en-1-amine has a molecular weight of 164.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propan-2-yl-2H-azet-3-ylidene)prop-2-en-1-amine is sourced from PubChem (CID 170204636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).